N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamide
Compound characteristics
| Compound ID: | F046-0048 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}acetamide |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C24 H25 N5 O5 |
| Smiles: | COc1ccccc1N1CCN(CC1)C1C=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6123 |
| logD: | 2.6118 |
| logSw: | -3.1699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.979 |
| InChI Key: | YBHLLRUKOWDRIH-UHFFFAOYSA-N |