{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]methanone
Chemical Structure Depiction of
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]methanone
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | V006-0421 |
| Compound Name: | {4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}[1-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 531.01 |
| Molecular Formula: | C28 H27 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(cnn1c1ccc(cc1)[Cl])C(N1CCN(CC1)c1nccc(c2ccc3c(c2)OCO3)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8221 |
| logD: | 5.8213 |
| logSw: | -5.9183 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.496 |
| InChI Key: | POSLASCDEASKBT-UHFFFAOYSA-N |