N-(2-cyanoethyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-phenylacetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-phenylacetamide
N-(2-cyanoethyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-phenylacetamide
Compound characteristics
| Compound ID: | C618-0831 |
| Compound Name: | N-(2-cyanoethyl)-2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)-N-phenylacetamide |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(N(CCC#N)c1ccccc1)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.5099 |
| logD: | 2.5099 |
| logSw: | -2.9996 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.295 |
| InChI Key: | PLKYZMMJFJHFDG-UHFFFAOYSA-N |