N-[(4-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(4-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-0595 |
| Compound Name: | N-[(4-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C20 H28 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N1CCC(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1885 |
| logD: | 2.1885 |
| logSw: | -2.5 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.924 |
| InChI Key: | GSSMQAICOWECON-UHFFFAOYSA-N |