methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0089 |
| Compound Name: | methyl 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C18 H17 N5 O6 |
| Smiles: | Cc1c(c(C)n(CC(NN2C=C(C(=O)OC)c3ccccc3C2=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.084 |
| logD: | 0.0828 |
| logSw: | -2.3899 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.355 |
| InChI Key: | AMCJKXJQWJWXSQ-UHFFFAOYSA-N |