2-ethyl-6,7-dimethoxy-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-6,7-dimethoxy-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
2-ethyl-6,7-dimethoxy-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1351 |
| Compound Name: | 2-ethyl-6,7-dimethoxy-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 489.49 |
| Molecular Formula: | C25 H26 F3 N3 O4 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4223 |
| logD: | 3.4223 |
| logSw: | -3.6774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.366 |
| InChI Key: | RJTIZKHQFVBOID-UHFFFAOYSA-N |