Basic information
- CAS
206256-29-3- Standard SMILES
O=C1Nc2ccccc2Sc2c1[nH]c1ccc(Cl)cc21- InChIKey
BIPIJISKHXJLFJ-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2OS
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0124118
Names & identifiers
- Preferred name
- 5H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2-chloro-
- IUPAC
- 2-chloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
Names & synonyms
206256-29-35H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2-chloro-5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2-chloro-2-chloro-5h-indolo[3,2-b][1,5]benzothiazepin-6(7h)-one2-chloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-oneDTXSID30174642
Database identifiers
- CAS
206256-29-3- PubChem CID
- 469725
- DTXSID
DTXSID30174642
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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