3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0484 |
| Compound Name: | 3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C24 H18 F3 N5 O2 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1)F)SCC(Nc1ccccc1F)=O)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5258 |
| logD: | 3.5256 |
| logSw: | -3.8862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | ACWCQMKNYFCPCZ-UHFFFAOYSA-N |