Basic information
- Standard SMILES
O=C1C=CCCC([C@@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1- InChIKey
XZOYLMRYZWZKKT-HUYTWLNPSA-N- Molecular formula
- C29H32N2O2
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- 7-((1R,2S)-2-dibenzylamino-1-hydroxy-3-phenylpropyl)-1,5,6,7-tetrahydroazepin-2-one
- IUPAC
- 2-[(1R,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]-1,2,3,4-tetrahydroazepin-7-one
Names & synonyms
SCHEMBL4359030XZOYLMRYZWZKKT-HUYTWLNPSA-N7-((1R,2S)-2-Dibenzylamino-1-hydroxy-3-phenylpropyl)-1,5,6,7-tetrahydro-azepin-2-one7-((1R,2S)-2-dibenzylamino-1-hydroxy-3-phenylpropyl)-1,5,6,7-tetrahydroazepin-2-one
Database identifiers
- PubChem CID
- 69015504
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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