6-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophen-2-yl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophen-2-yl)pyridazin-3(2H)-one
6-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophen-2-yl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | G115-0409 |
| Compound Name: | 6-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}thiophen-2-yl)pyridazin-3(2H)-one |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc(C2C=CC(NN=2)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5168 |
| logD: | 2.3842 |
| logSw: | -3.0455 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.761 |
| InChI Key: | JRFDLDTUMMVNAV-UHFFFAOYSA-N |