N-(2,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(2,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
Compound ID: | L705-0092 |
Compound Name: | N-(2,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
Molecular Weight: | 418.53 |
Molecular Formula: | C20 H22 N2 O4 S2 |
Smiles: | Cc1ccc(C)c(c1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8346 |
logD: | 1.8345 |
logSw: | -2.4347 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.606 |
InChI Key: | WGXNAPOWTCUQER-UHFFFAOYSA-N |