N-(4-chloro-2-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-chloro-2-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0035 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C19 H19 Cl N2 O4 S2 |
| Smiles: | Cc1cc(ccc1NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6541 |
| logD: | 2.6521 |
| logSw: | -3.4165 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.606 |
| InChI Key: | DCMBYIISEBLFOM-UHFFFAOYSA-N |