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
- Formal charge
- 0
- Complexity
- 799
Related reactions
7 records
Compound notes
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