Basic information
- CAS
3362-08-1- Standard SMILES
O=S1(=O)CCN2OC2(c2ccccc2)c2cc(Cl)ccc21- InChIKey
KPSPYIGRPWPSPY-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3S
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.0226421
Names & identifiers
- Preferred name
- 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-chloro-4,5-epoxy-5-phenyl-, 1,1-dioxide
- IUPAC
- 8-chloro-9b-phenyl-3,4-dihydrooxazireno[2,3-d][1,4]benzothiazepine 5,5-dioxide
- English name
- 8-Chloro-3,4-dihydro-9b-phenyl-9bH-oxazirino[2,3-d][1,4]benzothiazepine 5,5-dioxide
- Molecular weight
- 0
Names & synonyms
BRN 10892883362-08-17-Chloro-4,5-epoxy-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-chloro-4,5-epoxy-5-phenyl-, 1,1-dioxideRefChem:220124DTXSID509552538-Chloro-3,4-dihydro-9b-phenyl-9bH-oxazirino[2,3-d][1,4]benzothiazepine 5,5-dioxide8-Chloro-9b-phenyl-3,4-dihydro-5lambda~6~-oxazireno[2,3-d][1,4]benzothiazepine-5,5(9bH)-dione
Database identifiers
- CAS
3362-08-1- PubChem CID
- 201155
- DTXSID
DTXSID50955253
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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