4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | D065-0031 |
| Compound Name: | 4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C25 H22 N6 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccncc2)nnc1SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.7331 |
| logD: | 4.7331 |
| logSw: | -4.4903 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.745 |
| InChI Key: | BBZNCUIPAQZQBF-UHFFFAOYSA-N |