2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y501-1824 |
| Compound Name: | 2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 316.27 |
| Molecular Formula: | C14 H12 N4 O5 |
| Smiles: | COc1c(cn(CCN2C(c3ccccc3C2=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3929 |
| logD: | 1.3929 |
| logSw: | -1.959 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.383 |
| InChI Key: | MQUMSIWHULBVBI-UHFFFAOYSA-N |