2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-(thiophen-3-yl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-(thiophen-3-yl)pyridazin-3(2H)-one
2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-(thiophen-3-yl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | P885-0664 |
| Compound Name: | 2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-(thiophen-3-yl)pyridazin-3(2H)-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | C1CN(CCC1N1C(C=CC(c2ccsc2)=N1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1122 |
| logD: | 3.1122 |
| logSw: | -3.3054 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.551 |
| InChI Key: | XLNUAYLYJFKLNG-UHFFFAOYSA-N |