ethyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
ethyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C618-0785 |
| Compound Name: | ethyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(Cn1c2c3cc(C)ccc3OC(c2cn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0144 |
| logD: | 4.0144 |
| logSw: | -4.0382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.361 |
| InChI Key: | CTUJVGZPKYEIAZ-UHFFFAOYSA-N |