2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1471 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C33 H31 F N4 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)c2ccccn2)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9669 |
| logD: | 4.958 |
| logSw: | -4.6371 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.615 |
| InChI Key: | LPENJPSCQRYZJO-UHFFFAOYSA-N |