3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-6808 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C21 H18 F N3 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccco3)n2c2ccc(cc2)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5957 |
| logD: | 5.5957 |
| logSw: | -5.3928 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | AOJPADYTWRWDPS-UHFFFAOYSA-N |