2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 2357-3591 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 541.55 |
| Molecular Formula: | C26 H22 F3 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1479 |
| logD: | 5.1473 |
| logSw: | -4.9335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.347 |
| InChI Key: | YASKHEVKIUDFSZ-UHFFFAOYSA-N |