3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9450 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 476.81 |
| Molecular Formula: | C22 H16 Cl3 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9974 |
| logD: | 6.9974 |
| logSw: | -6.8027 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | VGUGDUMWJYJNND-UHFFFAOYSA-N |