1-[5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1065 |
| Compound Name: | 1-[5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CC(N1C(c2ccc(c(c2OC)OC)OC)OC(CSc2nc3ccccc3[nH]2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1239 |
| logD: | 2.5577 |
| logSw: | -3.2264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.475 |
| InChI Key: | MZBLMJZBUGWIMV-HXUWFJFHSA-N |