N-(4-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0005 |
| Compound Name: | N-(4-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C20 H20 N2 O5 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3355 |
| logD: | 1.3332 |
| logSw: | -2.2448 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.131 |
| InChI Key: | UANUINXQGLOAOV-UHFFFAOYSA-N |