3,3-dimethyl-1-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]oxy}methyl)-3,4-dihydroisoquinoline
Chemical Structure Depiction of
3,3-dimethyl-1-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]oxy}methyl)-3,4-dihydroisoquinoline
3,3-dimethyl-1-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]oxy}methyl)-3,4-dihydroisoquinoline
Compound characteristics
| Compound ID: | 8013-2489 |
| Compound Name: | 3,3-dimethyl-1-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]oxy}methyl)-3,4-dihydroisoquinoline |
| Molecular Weight: | 417.45 |
| Molecular Formula: | C21 H18 F3 N3 O S |
| Smiles: | CC1(C)Cc2ccccc2C(COc2nc(cc(C(F)(F)F)n2)c2cccs2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.695 |
| logD: | 5.5857 |
| logSw: | -5.6327 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.361 |
| InChI Key: | VXYYUZLMMNHRMQ-UHFFFAOYSA-N |