methyl N-[2-(2H-1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
Chemical Structure Depiction of
methyl N-[2-(2H-1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
methyl N-[2-(2H-1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate
Compound characteristics
| Compound ID: | Y042-5601 |
| Compound Name: | methyl N-[2-(2H-1,3-benzodioxol-5-yl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]glycinate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | COC(CNC(C1=CN(C(c2ccccc12)=O)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3799 |
| logD: | 1.3799 |
| logSw: | -2.3091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.134 |
| InChI Key: | QNUKIHSTDLZETB-UHFFFAOYSA-N |