N-[4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
Chemical Structure Depiction of
N-[4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
N-[4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
Compound characteristics
| Compound ID: | D481-2992 |
| Compound Name: | N-[4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl]methanesulfonamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C22 H25 N5 O3 S2 |
| Smiles: | CS(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8681 |
| logD: | 2.8666 |
| logSw: | -3.4227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.972 |
| InChI Key: | YDWIUDBZJWYWFE-UHFFFAOYSA-N |