3-(benzylsulfanyl)-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V016-9633 |
| Compound Name: | 3-(benzylsulfanyl)-4-(2-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 323.46 |
| Molecular Formula: | C19 H21 N3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccccc1C)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6314 |
| logD: | 4.6302 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.6831 |
| InChI Key: | IBAGLXAQZXNQIM-UHFFFAOYSA-N |