2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0046 |
| Compound Name: | 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C31 H33 N3 O6 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2ccccc2OC)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9914 |
| logD: | 3.9913 |
| logSw: | -4.1544 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.377 |
| InChI Key: | LLIGLMWKWFUSJQ-UHFFFAOYSA-N |