N-(2-bromo-4-methylphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-(2-bromo-4-methylphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C434-0010 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 412.24 |
| Molecular Formula: | C19 H14 Br N3 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(Cn1c2c3ccccc3OC(c2cn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5889 |
| logD: | 3.5889 |
| logSw: | -3.7162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.91 |
| InChI Key: | VQZCXDPLPJOTCS-UHFFFAOYSA-N |