4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1433 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 584.09 |
| Molecular Formula: | C34 H31 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8829 |
| logD: | 5.8829 |
| logSw: | -6.1142 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.104 |
| InChI Key: | VUBZPNZXIZOSSP-UHFFFAOYSA-N |