3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0486 |
| Compound Name: | 3-fluoro-N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C25 H21 F2 N5 O2 S |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2cccc(c2)F)=O)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9644 |
| logD: | 3.9643 |
| logSw: | -4.0308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | TZIMTJMLXWDOJN-UHFFFAOYSA-N |