Basic information
- Standard SMILES
O=C(CC(=O)N1CCCN(C(=O)c2ccccc2Br)CC1)Nc1ccc(-c2ccccc2)cc1- InChIKey
VVTNLRKZRMVBBG-UHFFFAOYSA-N- Molecular formula
- C27H26BrN3O3
- Average molar mass
- 520.4 g/mol
Names & identifiers
- Preferred name
- N-biphenyl-4-yl-3-[4-(2-bromo-benzoyl)-[1,4]diazepan-1-yl]-3-oxo-propionamide
- IUPAC
- 3-[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-3-oxo-N-(4-phenylphenyl)propanamide
Names & synonyms
SCHEMBL223399VVTNLRKZRMVBBG-UHFFFAOYSA-NN-biphenyl-4-yl-3-[4-(2-bromo-benzoyl)-[1,4]diazepan-1-yl]-3-oxo-propionamide
Database identifiers
- PubChem CID
- 44231685
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 703
Related reactions
2 records
Compound notes
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