N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C618-0625 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 426.27 |
| Molecular Formula: | C20 H16 Br N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(Nc1ccc(cc1C)[Br])=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0506 |
| logD: | 4.0505 |
| logSw: | -4.0655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.91 |
| InChI Key: | UCWHRLYNJQWBCI-UHFFFAOYSA-N |