N-(4-fluorophenyl)-N-{[5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-{[5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
N-(4-fluorophenyl)-N-{[5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | D580-0680 |
| Compound Name: | N-(4-fluorophenyl)-N-{[5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C21 H28 F N5 O3 S2 |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4003 |
| logD: | 2.4003 |
| logSw: | -2.5707 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.177 |
| InChI Key: | QWHQNTPJZAIYNU-UHFFFAOYSA-N |