3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9255 |
| Compound Name: | 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 476.81 |
| Molecular Formula: | C22 H16 Cl3 N3 O S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(c3ccccc3[Cl])n2c2ccc(c(c2)[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.9849 |
| logD: | 6.9849 |
| logSw: | -6.6129 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | DIOGAEKNXDQCIV-UHFFFAOYSA-N |