N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0127 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C19 H20 N2 O4 S3 |
| Smiles: | CSc1cccc(c1)NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2544 |
| logD: | 2.2543 |
| logSw: | -2.9404 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.304 |
| InChI Key: | CAOXDYPOGIIVMP-UHFFFAOYSA-N |