1-(diethylamino)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(diethylamino)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
1-(diethylamino)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | G817-1086 |
| Compound Name: | 1-(diethylamino)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H20 F3 N3 O |
| Smiles: | CCN(CC)c1c2ccccc2c(cn1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4324 |
| logD: | 5.4186 |
| logSw: | -5.6201 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.865 |
| InChI Key: | VGFMRSQQTBQGTA-UHFFFAOYSA-N |