2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1426 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 579.67 |
| Molecular Formula: | C35 H34 F N3 O4 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)c2ccccc2OC)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3 |
| logD: | 5.2996 |
| logSw: | -5.3733 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.433 |
| InChI Key: | PDQVDBIIFAITST-UHFFFAOYSA-N |