4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1807 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-(4-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1c2C(CC(Nc2[nH]n1)=O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1199 |
| logD: | 2.0605 |
| logSw: | -3.008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.186 |
| InChI Key: | WKJQRJOXDUHWCL-HNNXBMFYSA-N |