3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-6902 |
| Compound Name: | 3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.613 |
| logD: | 4.613 |
| logSw: | -4.5235 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.973 |
| InChI Key: | JHBCORFVLFAFNJ-UHFFFAOYSA-N |