3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-4854 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 392.35 |
| Molecular Formula: | C19 H19 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(C)c1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3347 |
| logD: | 6.3342 |
| logSw: | -6.3799 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.984 |
| InChI Key: | XCJKEWCDTBYCDE-UHFFFAOYSA-N |