4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1152 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C28 H28 F N3 O3 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccccc2F)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7832 |
| logD: | 3.7832 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | PYHSCULUGPLSBB-UHFFFAOYSA-N |