7-Amino-4,5-dihydro-4-(phenylmethyl)-1,4-benzoxazepin-3(2H)-one
Basic information
- CAS
1185126-96-8- Standard SMILES
Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2- InChIKey
TYGJECJUCLOWKQ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 7-Amino-4,5-dihydro-4-(phenylmethyl)-1,4-benzoxazepin-3(2H)-one
- IUPAC
- 7-amino-4-benzyl-5H-1,4-benzoxazepin-3-one
Names & synonyms
DTXSID7011757547-Amino-4,5-dihydro-4-(phenylmethyl)-1,4-benzoxazepin-3(2H)-oneAKOS0219425061185126-96-87-Amino-4-benzyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Database identifiers
- CAS
1185126-96-8- PubChem CID
- 45956901
- DTXSID
DTXSID701175754
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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