methyl 2-[3-(4-methylphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-methylphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(4-methylphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0055 |
| Compound Name: | methyl 2-[3-(4-methylphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | Cc1ccc(/C=C/C(NN2C=C(C(=O)OC)c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9231 |
| logD: | 2.9219 |
| logSw: | -3.4212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | WMKOJMLMJRLVQN-UHFFFAOYSA-N |