methyl 1-oxo-2-{2-[3-(trifluoromethyl)phenyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-{2-[3-(trifluoromethyl)phenyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-{2-[3-(trifluoromethyl)phenyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0060 |
| Compound Name: | methyl 1-oxo-2-{2-[3-(trifluoromethyl)phenyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 404.34 |
| Molecular Formula: | C20 H15 F3 N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(Cc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4025 |
| logD: | 2.3995 |
| logSw: | -3.0029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | XBZSOXSEUAFDPX-UHFFFAOYSA-N |