Basic information
- Standard SMILES
C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O- InChIKey
SLGRUFMUSQSFLE-FZADBTJQSA-N- Molecular formula
- C27H22F2N4O4
- Average molar mass
- 504.5 g/mol
Names & identifiers
- Preferred name
- 3-[N'-(3,5-Difluorophenyl-alpha-oxoacetyl)-L-alaninyl]amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)-2-oxoacetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
Names & synonyms
SCHEMBL4417356SLGRUFMUSQSFLE-FZADBTJQSA-N3-[N'-(3,5-Difluorophenyl-alpha-oxoacetyl)-L-alaninyl]amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3[N'-(3,5-Difluorophenyl-alpha-oxoacetyl)-L-alaninyl]amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 22984133
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 912
Related reactions
11 records
Compound notes
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