methyl 2-(3-methyl-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methyl-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(3-methyl-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0025 |
| Compound Name: | methyl 2-(3-methyl-4-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 381.34 |
| Molecular Formula: | C19 H15 N3 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.15 |
| logD: | 2.046 |
| logSw: | -2.8239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.316 |
| InChI Key: | QKIJTUQIQQZCIX-UHFFFAOYSA-N |