5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)pyridazin-3(2H)-one
Chemical Structure Depiction of
5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)pyridazin-3(2H)-one
5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | S576-0043 |
| Compound Name: | 5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)pyridazin-3(2H)-one |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | C1CN(CC1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)C1=CC(NN=C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3145 |
| logD: | 0.8461 |
| logSw: | -2.236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.772 |
| InChI Key: | NKNNWSYPCBLLKT-MRXNPFEDSA-N |