1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0040 |
| Compound Name: | 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 506.53 |
| Molecular Formula: | C28 H25 F3 N4 O2 |
| Smiles: | COc1ccccc1N1CCN(CC1)c1c2ccccc2c(cn1)C(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0788 |
| logD: | 6.0777 |
| logSw: | -5.7256 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.473 |
| InChI Key: | VXIRSJHKKIERIV-UHFFFAOYSA-N |