2-[(4-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
2-[(4-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1478 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 567.64 |
| Molecular Formula: | C34 H31 F2 N3 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4499 |
| logD: | 5.4498 |
| logSw: | -5.5237 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.104 |
| InChI Key: | YUIRVRQUQICWAG-UHFFFAOYSA-N |