N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-ethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
Compound ID: | L705-0054 |
Compound Name: | N-(4-ethylphenyl)-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: | CCc1ccc(cc1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7241 |
logD: | 2.724 |
logSw: | -3.2954 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.304 |
InChI Key: | HOBMHQMXOPNXQB-UHFFFAOYSA-N |