Basic information
- CAS
38943-51-0- Standard SMILES
COc1cc(C(=O)N2CCCCCO2)cc(OC)c1OC- InChIKey
MMBKLVFHUYWVND-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- 1,2-Oxazepine, hexahydro-2-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- oxazepan-2-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- Hexahydro-1,2-oxazepin-2-yl(3,4,5-trimethoxyphenyl) ketone
- Molecular weight
- 0
Names & synonyms
38943-51-0BRN 11510391,2-Oxazepine, hexahydro-2-(3,4,5-trimethoxybenzoyl)-Hexahydro-2-(3,4,5-trimethoxybenzoyl)-1,2-oxazepineDTXSID60192238RefChem:216391DTXCID70114729(1,2-Oxazepan-2-yl)(3,4,5-trimethoxyphenyl)methanone2-(3,4,5-trimethoxybenzoyl)-1,2-oxazepaneDB-265176Hexahydro-1,2-oxazepin-2-yl (3,4,5-trimethoxyphenyl) ketoneHexahydro-1,2-oxazepin-2-yl(3,4,5-trimethoxyphenyl) ketone
Database identifiers
- CAS
38943-51-0- PubChem CID
- 217583
- DTXSID
DTXSID60192238- Nikkaji
- J41.556A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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