Basic information
- Standard SMILES
O=C1[C@@H](CO)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc2N1Cc1ccccc1- InChIKey
XXVONVPNSGPZKG-FGZHOGPDSA-N- Molecular formula
- C23H19Cl2NO3
- Average molar mass
- 428.3 g/mol
Names & identifiers
- Preferred name
- trans-1-Benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-methanol
- IUPAC
- (3R,5S)-1-benzyl-7-chloro-5-(2-chlorophenyl)-3-(hydroxymethyl)-5H-4,1-benzoxazepin-2-one
Names & synonyms
SCHEMBL6952702XXVONVPNSGPZKG-FGZHOGPDSA-Ntrans-1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-methanol
Database identifiers
- PubChem CID
- 69945577
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
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