Basic information
- Standard SMILES
CC(C)CC1C(=O)N(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2-c2ccccc21- InChIKey
BABJYEIKUHLRTB-CPFIQGLUSA-N- Molecular formula
- C29H29F2N3O3
- Average molar mass
- 505.6 g/mol
Names & identifiers
- Preferred name
- 5-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-7-(2-methylpropyl)-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[7-(2-methylpropyl)-6-oxo-7H-benzo[d][1]benzazepin-5-yl]propanamide
Names & synonyms
SCHEMBL4411739BABJYEIKUHLRTB-CPFIQGLUSA-N5-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-7-(2-methylpropyl)-5,7-dihydro-6H-dibenz[b,d] azepin-6-one5-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-7-(2-methylpropyl)-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
Database identifiers
- PubChem CID
- 10278925
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
12 records
Compound notes
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