methyl 2-[3-(2-ethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(2-ethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(2-ethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0109 |
| Compound Name: | methyl 2-[3-(2-ethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | CCOc1ccccc1/C=C/C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0261 |
| logD: | 3.0255 |
| logSw: | -3.4208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.232 |
| InChI Key: | QFBOEWKPECUUGI-UHFFFAOYSA-N |