methyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0086 |
| Compound Name: | methyl 2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 419.78 |
| Molecular Formula: | C17 H14 Cl N5 O6 |
| Smiles: | Cc1c(c(nn1CC(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.5423 |
| logD: | 0.5411 |
| logSw: | -3.0475 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.313 |
| InChI Key: | AABWTUYIJAFSTA-UHFFFAOYSA-N |