N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-3-methylbenzo[b]thiophene-2-acetamide

HCID 15340671

Basic information

Standard SMILES
Cc1c(CC(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)sc2ccccc12
InChIKey
SHUWLSCOHRREKG-UHFFFAOYSA-N
Molecular formula
C30H25N3O2S
Average molar mass
491.6 g/mol

Names & identifiers

Preferred name
N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-3-methylbenzo[b]thiophene-2-acetamide
IUPAC
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-(3-methyl-1-benzothiophen-2-yl)acetamide

Names & synonyms

N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-3-methylbenzo[b]thiophene-2-acetamideN-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl]phenyl]-3-methylbenzo[b]thiophene-2-acetamideSCHEMBL8405733SHUWLSCOHRREKG-UHFFFAOYSA-N

Database identifiers

PubChem CID
15340671

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
36

Related reactions

7 records

Compound notes

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