methyl 4-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate
methyl 4-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-9369 |
| Compound Name: | methyl 4-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | COC(c1ccc(cc1)NC(COc1cccc2C(N(CC=C)C=Cc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9787 |
| logD: | 2.9786 |
| logSw: | -3.6736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.569 |
| InChI Key: | INQPXVMAFCZIJK-UHFFFAOYSA-N |