2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole
Chemical Structure Depiction of
2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole
2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole
Compound characteristics
| Compound ID: | C848-0211 |
| Compound Name: | 2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C16 H20 N2 O4 S3 |
| Smiles: | CCS(c1nc(c(N2CCCC2)s1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5568 |
| logD: | 3.5568 |
| logSw: | -3.6458 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.97 |
| InChI Key: | RLWYLRRKAKCREH-UHFFFAOYSA-N |