5H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2-chloro-, 12,12-dioxide
Basic information
- CAS
206256-21-5- Standard SMILES
O=C1Nc2ccccc2S(=O)(=O)c2c1[nH]c1ccc(Cl)cc21- InChIKey
KQKZEKTZSJACKL-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2O3S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.002241
Names & identifiers
- Preferred name
- 5H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2-chloro-, 12,12-dioxide
- IUPAC
- 2-chloro-12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
Names & synonyms
206256-21-55H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2-chloro-, 12,12-dioxide5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2-chloro-, 12,12-dioxide2-chloro-12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-oneDTXSID201746362-Chloro-12lambda~6~-indolo[3,2-b][1,5]benzothiazepine-6,12,12(5H,7H)-trione
Database identifiers
- CAS
206256-21-5- PubChem CID
- 469721
- DTXSID
DTXSID20174636
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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