2-(propan-2-yl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(propan-2-yl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
2-(propan-2-yl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y041-5645 |
| Compound Name: | 2-(propan-2-yl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C23 H23 F3 N4 O2 |
| Smiles: | CC(C)N1C=C(C(N2CCN(CC2)c2ccc(cn2)C(F)(F)F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2899 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.868 |
| InChI Key: | MQANWSFSRXGPQJ-UHFFFAOYSA-N |