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Basic information
- Standard SMILES
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccc(Cl)cc2)C1=O- InChIKey
NZGXRNHLIKDWHR-BBRMVZONSA-N- Molecular formula
- C20H22ClN3O3
- Average molar mass
- 387.9 g/mol
Names & identifiers
- Preferred name
- (S)-N-((S)-5-(4-Chlorobenzyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
- IUPAC
- (2S)-N-[(3S)-5-[(4-chlorophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-(methylamino)propanamide
Names & synonyms
CHEMBL3926445SCHEMBL15565708NZGXRNHLIKDWHR-BBRMVZONSA-NBDBM237635US9394263, 47(S)-N-((S)-5-(4-Chlorobenzyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-2-(methylamino)propanamide
Database identifiers
- PubChem CID
- 73054591
- ChEMBL
CHEMBL3926445
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Related reactions
1 records
Compound notes
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