N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C434-0211 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C20 H16 Br N3 O4 |
| Smiles: | COc1ccc(cc1CNC(Cn1c2c3ccccc3OC(c2cn1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2786 |
| logD: | 3.2786 |
| logSw: | -3.5868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.56 |
| InChI Key: | IQRDOPOETVNXOY-UHFFFAOYSA-N |