Research chemical
CAS Number: 443670-84-6
![N-[2-(3,4-dimethoxyphenyl)ethyl]-9-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-5-carboxamide molecular structure, CAS 443670-84-6](/structure-images/443670-84-6.png?v=struct-v3)
Product details
PubChem CID
46369267
Exact Mass
679.246455
InChIKey
ZGFFAXGOLWLJLD-UHFFFAOYSA-N
IUPAC Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide
SMILES String
COc1ccc(CCNC(=O)CSc2nc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c3nc4ccccc4n23)cc1OC
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-5-carboxamide is identified by CAS 443670-84-6, with molecular formula C37H37N5O6S, molecular weight 679.8, InChIKey ZGFFAXGOLWLJLD-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
49
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
14
Ring count
6
Aromatic rings
6
Topological polar surface area
125.31 Ų
Computed LogP
5.49
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-8,10,17-triazatetracyclo[8. 7. 0. 0^{2,7}.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.