methyl 2-(2-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(2-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(2-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0015 |
| Compound Name: | methyl 2-(2-nitrobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H13 N3 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2737 |
| logD: | 0.0728 |
| logSw: | -2.1675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.316 |
| InChI Key: | BGARWEUGILHBAU-UHFFFAOYSA-N |