Basic information
- Standard SMILES
O=C(O)CNC[C@H]1O[C@H](c2ccccc2Cl)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O- InChIKey
QWAQZAFSNGFZOX-ISKFKSNPSA-N- Molecular formula
- C25H22Cl2N2O4
- Average molar mass
- 485.4 g/mol
Names & identifiers
- Preferred name
- N-[trans-1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-ylmethyl]glycine
- IUPAC
- 2-[[(3R,5S)-1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]methylamino]acetic acid
Names & synonyms
SCHEMBL6963816QWAQZAFSNGFZOX-ISKFKSNPSA-NN-[trans-1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-ylmethyl]glycine
Database identifiers
- PubChem CID
- 69947765
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 675
Related reactions
4 records
Compound notes
Loading…