N-(4-bromo-3-methylphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-(4-bromo-3-methylphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E958-0310 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 446.37 |
| Molecular Formula: | C19 H20 Br N5 O S |
| Smiles: | Cc1cc(ccc1[Br])NC(C1CCCN(C1)c1nnc(n2cccc2)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.381 |
| logD: | 4.3806 |
| logSw: | -4.2032 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.835 |
| InChI Key: | NBQGLESQQRAEFX-AWEZNQCLSA-N |