Research chemical
CAS Number: 391876-16-7
![N-(2,3-dihydro-1H-inden-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide molecular structure, CAS 391876-16-7](/structure-images/391876-16-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4151466
Exact Mass
365.156184
InChIKey
KBCCVLIJGWOPKB-UHFFFAOYSA-N
IUPAC Name
N-(2,3-dihydro-1H-inden-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
SMILES String
O=c1cccc2n1CC1CC2CN(C(=S)NC2Cc3ccccc3C2)C1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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-dihydro-1H-inden-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide is identified by CAS 391876-16-7, with molecular formula C21H23N3OS, molecular weight 365.5, InChIKey KBCCVLIJGWOPKB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
26
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
1
Ring count
5
Aromatic rings
2
Topological polar surface area
37.27 Ų
Computed LogP
2.31
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-(2,3-dihydro-1H-inden-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide (CAS 391876-16-7) is maintained as a commercial cas reference with formula C21H23N3OS, molecular weight 365. 50 g/mol, PubChem CID 4151466.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.