Basic information
- Standard SMILES
O=C(c1ccc(SC2CCCCC2)nc1)N1Cc2cccn2Cc2ccccc21- InChIKey
XFJNHNDJSJPBQY-UHFFFAOYSA-N- Molecular formula
- C24H25N3OS
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 10,11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2,1-c][1,4]benzodiazepine
- IUPAC
- (6-cyclohexylsulfanyl-3-pyridinyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Names & synonyms
SCHEMBL5738673XFJNHNDJSJPBQY-UHFFFAOYSA-N10, 11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2, 1-c][1, 4]benzodiazepine10,11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2,1-c][1,4]benzodiazepine
Database identifiers
- PubChem CID
- 18917474
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
Related reactions
6 records
Compound notes
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