Basic information
- Standard SMILES
C[C@@H](OC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1- InChIKey
JEDKJLIXXIIPTH-ZHRRBRCNSA-N- Molecular formula
- C24H21N3O3
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.15829154
Names & identifiers
- Preferred name
- 3(R)-{[(R)-1-phenyl-ethoxycarbonyl]amino}-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
- IUPAC
- [(1R)-1-phenylethyl] N-[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
Names & synonyms
SCHEMBL8795131JEDKJLIXXIIPTH-ZHRRBRCNSA-N3(R)-{[(R)-1-phenyl-ethoxycarbonyl]amino}-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 10046472
- Nikkaji
- J641.205J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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