Basic information
- CAS
206256-13-5- Standard SMILES
O=C1Nc2ccccc2S(=O)(=O)c2c1[nH]c1ccccc21- InChIKey
NEQFULQJXNIORT-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3S
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.04121336
Names & identifiers
- Preferred name
- 5H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 12,12-dioxide
- IUPAC
- 12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
Names & synonyms
206256-13-55H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 12,12-dioxide5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 12,12-dioxideDTXSID2017463112,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one12lambda~6~-Indolo[3,2-b][1,5]benzothiazepine-6,12,12(5H,7H)-trione
Database identifiers
- CAS
206256-13-5- PubChem CID
- 469719
- DTXSID
DTXSID20174631
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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