3-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
3-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1333 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C28 H30 N4 O4 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccccn2)=O)c2ccccc2C1=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9151 |
| logD: | 2.9063 |
| logSw: | -3.3296 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.369 |
| InChI Key: | FIKSPQXGJXYOLK-UHFFFAOYSA-N |