Basic information
- CAS
144537-23-5- Standard SMILES
COc1cc2c(cc1OC)C(=O)NCC(C)(C)O2- InChIKey
SPWWAGPHPLQOBU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
- IUPAC
- 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one
- English name
- 7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.27838
Names & synonyms
7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one144537-23-5Oprea1_248059MLS000703758CHEMBL1363404HMS2602J097,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-oneSMR000226766AJ-091/33282028
Database identifiers
- CAS
144537-23-5- PubChem CID
- 736734
- ChEMBL
CHEMBL1363404
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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