7,8-dimethoxy-3-methyl-1-phenyl-4,5-dihydro-1H-2,3-benzoxazepine
Basic information
- CAS
74675-33-5- Standard SMILES
COc1cc2c(cc1OC)C(c1ccccc1)ON(C)CC2- InChIKey
SCBNMXRINVYQSZ-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- 7,8-dimethoxy-3-methyl-1-phenyl-4,5-dihydro-1H-2,3-benzoxazepine
- IUPAC
- 7,8-dimethoxy-3-methyl-1-phenyl-4,5-dihydro-1H-2,3-benzoxazepine
Names & synonyms
74675-33-5DTXSID503199327,8-dimethoxy-3-methyl-1-phenyl-4,5-dihydro-1H-2,3-benzoxazepineRefChem:309956DTXCID40271055NSC351929NSC-3519297,8-Dimethoxy-3-methyl-1-phenyl-1,3,4,5-tetrahydro-2,3-benzoxazepine
Database identifiers
- CAS
74675-33-5- PubChem CID
- 336757
- DTXSID
DTXSID50319932
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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