4-(3,4-dichlorophenyl)-3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-(3,4-dichlorophenyl)-3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9411 |
| Compound Name: | 4-(3,4-dichlorophenyl)-3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 416.33 |
| Molecular Formula: | C20 H15 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccco3)n2c2ccc(c(c2)[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7932 |
| logD: | 5.7932 |
| logSw: | -6.0673 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | KQJMGGGOILRJEG-UHFFFAOYSA-N |