4-[5-({[3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine
4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
| Compound ID: | D065-0051 |
| Compound Name: | 4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]pyridine |
| Molecular Weight: | 422.51 |
| Molecular Formula: | C21 H22 N6 O2 S |
| Smiles: | CC(C)Cn1c(c2ccncc2)nnc1SCc1nc(c2ccc(cc2)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6043 |
| logD: | 4.6029 |
| logSw: | -4.2197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.556 |
| InChI Key: | ORCMYHUGZQZSQX-UHFFFAOYSA-N |