3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1340 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 503.57 |
| Molecular Formula: | C29 H30 F N3 O4 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3981 |
| logD: | 3.3981 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.858 |
| InChI Key: | IYJONQXBYZYKRF-UHFFFAOYSA-N |