4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E856-0292 |
| Compound Name: | 4-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | C1Cn2c(ccn2)N(Cc2ccc(cc2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.8821 |
| logD: | 1.6906 |
| logSw: | -2.4209 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.731 |
| InChI Key: | AEQOKZMOXMUVFD-UHFFFAOYSA-N |