1-[5-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(3,4-dimethoxyphenyl)-2-methyl-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(3,4-dimethoxyphenyl)-2-methyl-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(3,4-dimethoxyphenyl)-2-methyl-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-0604 |
| Compound Name: | 1-[5-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-(3,4-dimethoxyphenyl)-2-methyl-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 564.06 |
| Molecular Formula: | C28 H26 Cl N5 O4 S |
| Smiles: | CC(N1C(C)(c2ccc(c(c2)OC)OC)OC(CSc2nnc(c3ccc(cc3)[Cl])n2c2ccccc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3726 |
| logD: | 5.3723 |
| logSw: | -5.9904 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.535 |
| InChI Key: | QZGBDNUZAXNFRZ-NDEPHWFRSA-N |