2,5-dichloro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
2,5-dichloro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
2,5-dichloro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K400-03443 |
| Compound Name: | 2,5-dichloro-N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 598.41 |
| Molecular Formula: | C25 H17 Cl2 F4 N5 O2 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1)F)SCC(Nc1ccccc1C(F)(F)F)=O)NC(c1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6697 |
| logD: | 5.6688 |
| logSw: | -5.9586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | DNUVXVCPSUVWNM-UHFFFAOYSA-N |