3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-3620 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 378.32 |
| Molecular Formula: | C18 H17 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7455 |
| logD: | 5.7454 |
| logSw: | -6.0561 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.984 |
| InChI Key: | LKBUKHBHZUAMPE-UHFFFAOYSA-N |