methyl 2-[2-(4-nitrophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-nitrophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(4-nitrophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0035 |
| Compound Name: | methyl 2-[2-(4-nitrophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 381.34 |
| Molecular Formula: | C19 H15 N3 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5258 |
| logD: | 1.5228 |
| logSw: | -2.3756 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.403 |
| InChI Key: | BTYCXILSHGPBFD-UHFFFAOYSA-N |