methyl 1-oxo-2-[3-(trifluoromethyl)benzamido]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-[3-(trifluoromethyl)benzamido]-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-[3-(trifluoromethyl)benzamido]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0080 |
| Compound Name: | methyl 1-oxo-2-[3-(trifluoromethyl)benzamido]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 390.32 |
| Molecular Formula: | C19 H13 F3 N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5352 |
| logD: | 2.4624 |
| logSw: | -3.0355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.235 |
| InChI Key: | UJAJJCFPXITWBU-UHFFFAOYSA-N |