2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1427 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C29 H30 F N3 O3 |
| Smiles: | CN1CCN(CC1)C(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.482 |
| logD: | 3.1607 |
| logSw: | -3.6863 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.32 |
| InChI Key: | IWMHQIZAKPNQKC-UHFFFAOYSA-N |