N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C796-0234 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C20 H22 Br N5 O2 S |
| Smiles: | COc1ccc(cc1CNC(C1CCCN(C1)c1nnc(n2cccc2)s1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7886 |
| logD: | 3.7886 |
| logSw: | -3.8656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.788 |
| InChI Key: | XNVALZRJSUBKMX-AWEZNQCLSA-N |