N-(3,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3,5-dimethylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0122 |
| Compound Name: | N-(3,5-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: | Cc1cc(C)cc(c1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4864 |
| logD: | 2.4863 |
| logSw: | -2.9026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.304 |
| InChI Key: | YMCMRBBFUMTWFZ-UHFFFAOYSA-N |