3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V004-7183 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-5-(2-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(c2ccccc2OC)nnc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0033 |
| logD: | 6.0027 |
| logSw: | -6.0931 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.042 |
| InChI Key: | HBTOBUWGTSZGPE-UHFFFAOYSA-N |