methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0075 |
| Compound Name: | methyl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C21 H16 N2 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5039 |
| logD: | 2.5027 |
| logSw: | -3.0671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.137 |
| InChI Key: | GUCDNJFKWVLQSB-UHFFFAOYSA-N |