4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-methyl-7-phenyl-
Basic information
- CAS
75017-30-0- Standard SMILES
Cc1ccc2c(c1)C(c1ccccc1)=NCC1COCCN21- InChIKey
FVZRZJCBVMLTRL-UHFFFAOYSA-N- Molecular formula
- C19H20N2O
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.15756327
Names & identifiers
- Preferred name
- 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-methyl-7-phenyl-
- IUPAC
- 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Names & synonyms
1,2,4a,5-Tetrahydro-9-methyl-7-phenyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine75017-30-01,2,4,4a-Tetrahydro-9-methyl-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepin [German]4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-9-methyl-7-phenyl-1,2,4,4a-Tetrahydro-9-methyl-7-phenyl-5H(1,4)oxazino(4,3-a)(1,4)benzodiazepinRefChem:296885SCHEMBL11261987DTXSID709965279-Methyl-7-phenyl-1,2,4a,5-tetrahydro-4H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Database identifiers
- CAS
75017-30-0- PubChem CID
- 3058321
- DTXSID
DTXSID70996527
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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