3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C115-0379 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C27 H35 N3 O6 |
| Smiles: | CCN1CCN(CC1)C(C1C(c2ccc(c(c2)OC)OC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5152 |
| logD: | 1.1067 |
| logSw: | -2.2648 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.395 |
| InChI Key: | LJGDUFKOEBMAON-UHFFFAOYSA-N |