2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1512 |
| Compound Name: | 2-(4-methoxyphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 507.51 |
| Molecular Formula: | C28 H24 F3 N3 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.1709 |
| logD: | 4.1709 |
| logSw: | -4.3621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.207 |
| InChI Key: | GQJZEDWSIWRKHC-UHFFFAOYSA-N |