10-[(2,2'-Dimethyl-1,1'-biphenyl-4-YL)carbonyl]-N-(3-phenylpropyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HCID 16038677
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Basic information

Standard SMILES
Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCCc4ccccc4)n3Cc3ccccc32)cc1C
InChIKey
HDIIGBPQABAYFL-UHFFFAOYSA-N
Molecular formula
C37H35N3O2
Average molar mass
553.7 g/mol

Names & identifiers

Preferred name
10-[(2,2'-Dimethyl-1,1'-biphenyl-4-YL)carbonyl]-N-(3-phenylpropyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide
IUPAC
5-[3-methyl-4-(2-methylphenyl)benzoyl]-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Names & synonyms

SCHEMBL3536824HDIIGBPQABAYFL-UHFFFAOYSA-N10-[(2,2'-DIMETHYL-1,1'-BIPHENYL-4-YL)CARBONYL]-N-(3-PHENYLPROPYL)-10,11-DIHYDRO-5H-PYRROLO[2,1-C][1,4]BENZODIAZEPINE-3-CARBOXAMIDE

Database identifiers

PubChem CID
16038677

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
42

Related reactions

2 records
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Compound notes

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