N-[3-(methylsulfanyl)phenyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C434-0205 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C19 H15 N3 O3 S |
| Smiles: | CSc1cccc(c1)NC(Cn1c2c3ccccc3OC(c2cn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2685 |
| logD: | 3.2685 |
| logSw: | -3.6294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.608 |
| InChI Key: | XNTFDGJJBAGUIJ-UHFFFAOYSA-N |