methyl 2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
Compound ID: | C116-0028 |
Compound Name: | methyl 2-[4-(diethylamino)benzamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
Molecular Weight: | 393.44 |
Molecular Formula: | C22 H23 N3 O4 |
Smiles: | CCN(CC)c1ccc(cc1)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5422 |
logD: | 2.5051 |
logSw: | -2.8891 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.971 |
InChI Key: | ZMEFCBGERKNSKT-UHFFFAOYSA-N |