N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)benzamide
Chemical Structure Depiction of
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)benzamide
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)benzamide
Compound characteristics
| Compound ID: | Y031-3531 |
| Compound Name: | N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-(propylsulfanyl)benzamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CCCSc1ccccc1C(Nc1nnc(CCc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4703 |
| logD: | 4.4902 |
| logSw: | -5.4019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.642 |
| InChI Key: | QQODKZGQOFAPFF-UHFFFAOYSA-N |