methyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0073 |
| Compound Name: | methyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5467 |
| logD: | 2.546 |
| logSw: | -3.0438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.196 |
| InChI Key: | SQMOPMUCEHWQAL-UHFFFAOYSA-N |