N-(3-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3-acetylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0123 |
| Compound Name: | N-(3-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(c1cccc(c1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5343 |
| logD: | 1.5334 |
| logSw: | -2.3503 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.131 |
| InChI Key: | NTHGTZHALWKHNP-UHFFFAOYSA-N |