Basic information
- Standard SMILES
O=C(N[C@@H]1CC=C(c2ccccc2)CNC1=O)OCc1ccccc1- InChIKey
VRKNXSLAHHBHDM-GOSISDBHSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- Benzyl (3R)-2-oxo-6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-ylcarbamate
- IUPAC
- benzyl N-[(6R)-7-oxo-3-phenyl-1,2,5,6-tetrahydroazepin-6-yl]carbamate
Names & synonyms
SCHEMBL12219118VRKNXSLAHHBHDM-GOSISDBHSA-NBenzyl (3R)-2-oxo-6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-ylcarbamate
Database identifiers
- PubChem CID
- 60037846
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 491
Related reactions
9 records
Compound notes
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