N-(2-methoxy-5-nitrophenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-(2-methoxy-5-nitrophenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C618-0676 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C20 H16 N4 O6 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(Nc1cc(ccc1OC)[N+]([O-])=O)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.824 |
| logD: | 2.8052 |
| logSw: | -3.3612 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.922 |
| InChI Key: | XTJAQUHACPIYCB-UHFFFAOYSA-N |