4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-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-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine
4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | D065-0052 |
| Compound Name: | 4-[5-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H24 N6 O3 S |
| Smiles: | CC(C)Cn1c(c2ccncc2)nnc1SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2444 |
| logD: | 4.243 |
| logSw: | -4.2067 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.273 |
| InChI Key: | BTLGWMSCSOJUJZ-UHFFFAOYSA-N |