2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G731-0418 |
| Compound Name: | 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C18 H17 F N4 O S |
| Smiles: | C(CNC(CSc1nnc(c2ccc(cc2)F)[nH]1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3458 |
| logD: | 1.1541 |
| logSw: | -2.7467 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.787 |
| InChI Key: | WWRDQLZRRLTVTB-UHFFFAOYSA-N |