N-(2,4-dimethoxyphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-(2,4-dimethoxyphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E958-0031 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2676 |
| logD: | 3.2671 |
| logSw: | -3.5035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.378 |
| InChI Key: | KLBNKGMRAZVAML-UHFFFAOYSA-N |