N-(4-acetamidophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-acetamidophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1366 |
| Compound Name: | N-(4-acetamidophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1ccc(cc1)NC(C)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4353 |
| logD: | 1.4352 |
| logSw: | -2.264 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.566 |
| InChI Key: | WPCQJIYITWYDSV-CYBMUJFWSA-N |