4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5,6-diphenylpyridazin-3(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5,6-diphenylpyridazin-3(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5,6-diphenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | D266-0052 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5,6-diphenylpyridazin-3(2H)-one |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C29 H26 N4 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(C1=C(C(c2ccccc2)=NNC1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8126 |
| logD: | 2.945 |
| logSw: | -4.0096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.662 |
| InChI Key: | NSZBRIVLKOFHJN-UHFFFAOYSA-N |