ethyl N-{4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}-beta-alaninate
ethyl N-{4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | F978-0358 |
| Compound Name: | ethyl N-{4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}-beta-alaninate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | CCOC(CCNC(N1CCN(CC1)C1C=CC(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5154 |
| logD: | 2.5151 |
| logSw: | -2.8516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.576 |
| InChI Key: | PJZNYLGPUMFJIV-UHFFFAOYSA-N |