5-({[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
5-({[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0154 |
| Compound Name: | 5-({[4-(4-ethoxyphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(CCc2ccccc2)nnc1SCc1nc(c2ccc(C)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.8755 |
| logD: | 6.8754 |
| logSw: | -5.9293 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.155 |
| InChI Key: | HSTQLXXQKZEMNC-UHFFFAOYSA-N |