3-(benzylsulfanyl)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9409 |
| Compound Name: | 3-(benzylsulfanyl)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 377.89 |
| Molecular Formula: | C21 H16 Cl N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2222 |
| logD: | 5.2222 |
| logSw: | -5.6488 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | JOXFJONXHNJTDO-UHFFFAOYSA-N |