4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-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)-1-(3,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1706 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | Cc1cc(C)cc(c1)n1c2c(C(CC(N2)=O)C(c2ccc3c(c2)OCCO3)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7985 |
| logD: | 2.7937 |
| logSw: | -3.2357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.653 |
| InChI Key: | XPXXCIRAPOYOGX-SFHVURJKSA-N |