N-{3-[butyl(ethyl)amino]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-{3-[butyl(ethyl)amino]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E958-0167 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 418.6 |
| Molecular Formula: | C21 H34 N6 O S |
| Smiles: | CCCCN(CC)CCCNC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3122 |
| logD: | 0.5616 |
| logSw: | -3.2165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.002 |
| InChI Key: | ZMUQNFBALYZFOT-UHFFFAOYSA-N |