5-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L076-0032 |
| Compound Name: | 5-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CCC(CC)C(N1CCC(CC1)c1nnc(C(Nc2ccc(cc2)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.649 |
| logD: | 3.6489 |
| logSw: | -3.8085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.026 |
| InChI Key: | BKSSZGGEMYDZLX-UHFFFAOYSA-N |