N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]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-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | D580-0672 |
| Compound Name: | N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide |
| Molecular Weight: | 467.58 |
| Molecular Formula: | C20 H26 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(N1CCCCC1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0699 |
| logD: | 2.0699 |
| logSw: | -2.4721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.177 |
| InChI Key: | DGUOXZLLOOKJQE-UHFFFAOYSA-N |