1-[5-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-1033 |
| Compound Name: | 1-[5-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-methyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C26 H24 N6 O3 S |
| Smiles: | CC(N1C(C)(c2cccnc2)OC(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8308 |
| logD: | 3.8306 |
| logSw: | -3.8416 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.336 |
| InChI Key: | YKHNQPWRVSONOY-SANMLTNESA-N |