Basic information
- Standard SMILES
C[C@H](NC(=O)CCl)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O- InChIKey
RMOUVYGAJYONRE-YTJLLHSVSA-N- Molecular formula
- C21H21ClN4O3
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1302182
Names & identifiers
- Preferred name
- 3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
- IUPAC
- (2S)-2-[(2-chloroacetyl)amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
Names & synonyms
SCHEMBL4424657RMOUVYGAJYONRE-YTJLLHSVSA-N3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(Chloroacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4benzodiazepin-2-one
Database identifiers
- PubChem CID
- 22984569
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Related reactions
13 records
Compound notes
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