2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Basic information
- CAS
140413-00-9- Standard SMILES
CCN1C(=O)c2cc(N)ccc2Oc2cc(C)cc(C)c21- InChIKey
KGWRKSLKDXAWRK-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- 2-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
- IUPAC
- 8-amino-5-ethyl-2,4-dimethylbenzo[b][1,4]benzoxazepin-6-one
Names & synonyms
2Am-7,9diMe-10Et-DBOA-11one140413-00-92-Amino-7,9,-dimethyl-10-ethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one2-Amino-7,9,-dimethyl-10-ethyl-dibenz[b,f][1,4]oxazepin-11-(10H)-oneDibenzoxazepinone 38BDBM1988CHEMBL291987DTXSID101613538-amino-5-ethyl-2,4-dimethyl-benzo[b][1,4]benzoxazepin-6-one2-Amino-10-ethyl-7,9-dimethyldibenzo[b,f][1,4]oxazepin-11(10H)-one13-amino-9-ethyl-5,7-dimethyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
Database identifiers
- CAS
140413-00-9- PubChem CID
- 453944
- DTXSID
DTXSID10161353- ChEMBL
CHEMBL291987- Nikkaji
- J474.959F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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