4-(3,4-dichlorophenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole
4-(3,4-dichlorophenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5401 |
| Compound Name: | 4-(3,4-dichlorophenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 470.42 |
| Molecular Formula: | C24 H21 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccc(cc3)OC)n2c2ccc(c(c2)[Cl])[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 7.9078 |
| logD: | 7.9078 |
| logSw: | -6.7404 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | BBBAKFHPJYIRQP-UHFFFAOYSA-N |