N-[3-(methylsulfanyl)phenyl]-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[3-(methylsulfanyl)phenyl]-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-0520 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-oxo-3-[3-oxo-3-(piperidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C22 H25 N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)SC(N2CCC(N1CCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9946 |
| logD: | 3.9912 |
| logSw: | -4.0538 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.832 |
| InChI Key: | XBMTYPUFMUNAOY-UHFFFAOYSA-N |