methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0098 |
| Compound Name: | methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4821 |
| logD: | 2.4809 |
| logSw: | -2.788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.565 |
| InChI Key: | QSRFIHAGHYKCQN-UHFFFAOYSA-N |