3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-6962 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 357.9 |
| Molecular Formula: | C19 H20 Cl N3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccccc1C)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2262 |
| logD: | 5.2249 |
| logSw: | -5.7015 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.6831 |
| InChI Key: | WTJYWALAQORPHS-UHFFFAOYSA-N |