Basic information
- CAS
206256-30-6- Standard SMILES
O=C1Nc2ccc(Cl)cc2Sc2c1[nH]c1ccc(Cl)cc21- InChIKey
VAWRDMISXAQNAH-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2N2OS
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 333.9734394
Names & identifiers
- Preferred name
- 5H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2,10-dichloro-
- IUPAC
- 2,10-dichloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
Names & synonyms
206256-30-65H-Indolo(3,2-b)(1,5)benzothiazepin-6(7H)-one, 2,10-dichloro-5H-Indolo[3,2-b][1,5]benzothiazepin-6(7H)-one, 2,10-dichloro-2,10-dichloro-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one2,10-dichloro-5h-indolo[3,2-b][1,5]benzothiazepin-6(7h)-oneDTXSID90174643
Database identifiers
- CAS
206256-30-6- PubChem CID
- 469726
- DTXSID
DTXSID90174643
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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