Research chemical
CAS Number: 2034402-23-6
![N-(1,3-dimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1,3-benzothiadiazol-5-yl)-2-{2-oxo-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-12-yl}acetamide molecular structure, CAS 2034402-23-6](/structure-images/2034402-23-6.png?v=struct-v3)
Product details
PubChem CID
119101297
Exact Mass
447.103497
InChIKey
KZFMRFMVQHCIKO-UHFFFAOYSA-N
IUPAC Name
N-(1,3-dimethyl-2,2-dioxo-2lambda6,1,3-benzothiadiazol-5-yl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide
SMILES String
CN1c2ccc(NC(=O)CC3CSc4nc5c(c(=O)n43)CCC5)cc2N(C)S1(=O)=O
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-(1,3-dimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1,3-benzothiadiazol-5-yl)-2-{2-oxo-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-12-yl}acetamide is identified by CAS 2034402-23-6, with molecular formula C19H21N5O4S2, molecular weight 447.5, InChIKey KZFMRFMVQHCIKO-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
3
Ring count
5
Aromatic rings
2
Topological polar surface area
104.61 Ų
Computed LogP
1.54
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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-(1,3-dimethyl-2,2-dioxo-1,3-dihydro-2lambda6,1,3-benzothiadiazol-5-yl)-2-{2-oxo-10-thia-1,8-diazatricyclo[7. 3. 0.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.