N-(2,3-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2,3-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
Compound ID: | E975-1501 |
Compound Name: | N-(2,3-dimethylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
Molecular Weight: | 362.47 |
Molecular Formula: | C17 H18 N2 O3 S2 |
Smiles: | Cc1cccc(c1C)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2416 |
logD: | 3.2137 |
logSw: | -3.4529 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.342 |
InChI Key: | LQIXDMKMQINNIY-UHFFFAOYSA-N |