Dibenzo(b,f)(1,4)thiazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-S,S-dioxide

HCID 29490

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Basic information

CAS: 19190-30-8
Standard SMILES: CN(C)CCN1C(=O)c2ccccc2S(=O)(=O)c2cc(Cl)ccc21
InChIKey: SDCRLINRBMRSLW-UHFFFAOYSA-N
Molecular formula: C17H17ClN2O3S
Average molar mass: 364.8 g/mol
Monoisotopic mass: 364.0648413

Names & identifiers

Preferred name: Dibenzo(b,f)(1,4)thiazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-S,S-dioxide
IUPAC: 2-chloro-5-[2-(dimethylamino)ethyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one

Names & synonyms

BRN 1226570Dibenzo(b,f)(1,4)thiazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-S,S-dioxide19190-30-8DTXSID20172738RefChem:337125DTXCID80952297-Chloro-10-[2-(dimethylamino)ethyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

Database identifiers

CAS: 19190-30-8
PubChem CID: 29490
DTXSID: DTXSID20172738

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 575

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