N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-10043 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 519.48 |
| Molecular Formula: | C23 H17 F4 N5 O3 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1)F)SCC(Nc1ccccc1C(F)(F)F)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.295 |
| logD: | 3.295 |
| logSw: | -3.9097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.404 |
| InChI Key: | CEUGQTBUUMMTKQ-UHFFFAOYSA-N |