2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0091 |
| Compound Name: | 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C29 H30 N4 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2ccccn2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6583 |
| logD: | 3.6495 |
| logSw: | -3.7202 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.559 |
| InChI Key: | CEULIARXBZVGAR-UHFFFAOYSA-N |