methyl 2-[3-(dimethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(dimethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[3-(dimethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0113 |
| Compound Name: | methyl 2-[3-(dimethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | CN(C)c1cccc(c1)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0493 |
| logD: | 2.0485 |
| logSw: | -2.914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.04 |
| InChI Key: | SFGDECKTVWOOGD-UHFFFAOYSA-N |