3-(benzylsulfanyl)-5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-7119 |
| Compound Name: | 3-(benzylsulfanyl)-5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 357.48 |
| Molecular Formula: | C22 H19 N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3598 |
| logD: | 5.3598 |
| logSw: | -5.5732 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | ZUMBNMQSHKWGBL-UHFFFAOYSA-N |