2-(3-methylbutyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(3-methylbutyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-(3-methylbutyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y041-3591 |
| Compound Name: | 2-(3-methylbutyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CC(C)CCN1C=C(C(N2CCN(CC2)c2ccccn2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4101 |
| logD: | 3.4013 |
| logSw: | -3.6555 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.87 |
| InChI Key: | KOXFRBDNOKUUND-UHFFFAOYSA-N |