N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C434-0027 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 413.82 |
| Molecular Formula: | C20 H16 Cl N3 O5 |
| Smiles: | COc1cc(c(cc1NC(Cn1c2c3ccccc3OC(c2cn1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.1064 |
| logD: | 3.0991 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.171 |
| InChI Key: | PLLCITJMGQDWDR-UHFFFAOYSA-N |