2-(3-methoxyphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-(3-methoxyphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2150 |
| Compound Name: | 2-(3-methoxyphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCN(CC2)c2ncccn2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | 2.7315 |
| logSw: | -3.2445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.569 |
| InChI Key: | QXDGZPKDVYFCJB-UHFFFAOYSA-N |