3-cyclopropyl-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-cyclopropyl-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-4846 |
| Compound Name: | 3-cyclopropyl-4-(3,4-dichlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 390.33 |
| Molecular Formula: | C19 H17 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(C3CC3)n2c2ccc(c(c2)[Cl])[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.853 |
| logD: | 5.8529 |
| logSw: | -6.1823 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.2357 |
| InChI Key: | ZMIOXPQWQRVLHK-UHFFFAOYSA-N |