3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-1503 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C21 H18 F N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccco3)n2c2ccccc2F)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5202 |
| logD: | 5.5202 |
| logSw: | -5.4879 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | CDPUTMNLGJKDJE-UHFFFAOYSA-N |