3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5430 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)OC)nnc1SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3898 |
| logD: | 6.3898 |
| logSw: | -6.2949 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.955 |
| InChI Key: | LNUMIMABBHEOBF-UHFFFAOYSA-N |