N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E942-0149 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 472.51 |
| Molecular Formula: | C25 H27 F3 N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4344 |
| logD: | 4.4204 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.165 |
| InChI Key: | ZVDPGRAXTYGVMF-UHFFFAOYSA-N |