N-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
N-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1794 |
| Compound Name: | N-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 494.99 |
| Molecular Formula: | C21 H20 Cl F N4 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(c1ccc(cc1)[Cl])=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.529 |
| logD: | 3.529 |
| logSw: | -4.1346 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.032 |
| InChI Key: | VYOCKCFTKINBDQ-UHFFFAOYSA-N |