3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V016-6686 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(c(c2)OC)OC)nnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6883 |
| logD: | 5.6883 |
| logSw: | -6.0031 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.672 |
| InChI Key: | QPQUOHDXVKADPY-UHFFFAOYSA-N |