N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-0927 |
| Compound Name: | N-[(4-ethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C20 H29 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2525 |
| logD: | 2.2525 |
| logSw: | -2.5815 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.924 |
| InChI Key: | IHHNFUSYCXSIRL-UHFFFAOYSA-N |