2-[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione
2-[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y501-1823 |
| Compound Name: | 2-[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 330.3 |
| Molecular Formula: | C15 H14 N4 O5 |
| Smiles: | COc1c(cn(CCCN2C(c3ccccc3C2=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5564 |
| logD: | 1.5564 |
| logSw: | -2.0637 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.383 |
| InChI Key: | KMRBWKGGHVNCSF-UHFFFAOYSA-N |