2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 3254-2397 |
| Compound Name: | 2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 571.58 |
| Molecular Formula: | C27 H24 F3 N5 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8452 |
| logD: | 4.845 |
| logSw: | -4.6495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.064 |
| InChI Key: | GHCOPTYLWULEBL-UHFFFAOYSA-N |