4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4,5-tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-
Basic information
- CAS
87566-50-5- Standard SMILES
Cc1ccc2c(c1)C(c1ccc(Br)s1)=NCC1COCCN21- InChIKey
SCHLIQMIINWFRZ-UHFFFAOYSA-N- Molecular formula
- C17H17BrN2OS
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 376.0245
Names & identifiers
- Preferred name
- 4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4,5-tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-
- IUPAC
- 7-(5-bromothiophen-2-yl)-9-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Names & synonyms
1,2,4,5-Tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-4H-(1,4)oxazino(4,3-a)(1,4)benzodiazepine87566-50-54H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4,5-tetrahydro-7-(5-bromo-2-thienyl)-9-methyl-RefChem:296879DTXSID3010076527-(5-Bromothiophen-2-yl)-9-methyl-1,2,4a,5-tetrahydro-4H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
Database identifiers
- CAS
87566-50-5- PubChem CID
- 3071256
- DTXSID
DTXSID301007652
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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