N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)ylcarbonyl)-2-methylphenyl]-2-methylbenzamide

HCID 21837166

Basic information

Standard SMILES
Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccccc1C
InChIKey
VUVNUUKFMIRGIP-UHFFFAOYSA-N
Molecular formula
C28H25N3O2
Average molar mass
435.5 g/mol

Names & identifiers

Preferred name
N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)ylcarbonyl)-2-methylphenyl]-2-methylbenzamide
IUPAC
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]-2-methylbenzamide

Names & synonyms

SCHEMBL7340028VUVNUUKFMIRGIP-UHFFFAOYSA-NN-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-methylphenyl]-2-methylbenzamideN-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)ylcarbonyl)-2-methylphenyl]-2-methylbenzamide

Database identifiers

PubChem CID
21837166

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
33

Related reactions

9 records

Compound notes

Loading…