3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-1051 |
| Compound Name: | 3-(2-chlorophenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 405.95 |
| Molecular Formula: | C23 H20 Cl N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6912 |
| logD: | 6.6912 |
| logSw: | -6.5949 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | XMFAKTJTBUBKIU-UHFFFAOYSA-N |