3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]propanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]propanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | L705-0142 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(propan-2-yl)phenyl]propanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1316 |
| logD: | 3.1315 |
| logSw: | -3.5562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.304 |
| InChI Key: | ZQJRARMNYKIRCT-UHFFFAOYSA-N |