10,11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2,1-c][1,4]benzodiazepine

HCID 18917474

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

Related reactions

6 records

Compound notes

Loading…