N-(4-acetylphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-acetylphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0791 |
| Compound Name: | N-(4-acetylphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C21 H22 N2 O5 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)C(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5086 |
| logD: | 1.5045 |
| logSw: | -2.3262 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.344 |
| InChI Key: | GUNYLZHHMYMAPR-ZDUSSCGKSA-N |