N-(3-chloro-4-fluorophenyl)-2-{[5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-8865 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C21 H20 Cl F N4 O2 S |
| Smiles: | CCOc1ccccc1c1nnc(n1CC=C)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8244 |
| logD: | 4.8163 |
| logSw: | -4.864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.579 |
| InChI Key: | PXIRWKZGOHHEMV-UHFFFAOYSA-N |