N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1574 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 380.5 |
| Molecular Formula: | C16 H16 N2 O3 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8944 |
| logD: | 2.8575 |
| logSw: | -3.5645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | QLNLUAKMVLMLOY-UHFFFAOYSA-N |