4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1-(3-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-methyl-1-(3-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1-(3-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1653 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1-(3-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | Cc1cccc(c1)n1c2c(C(CC(N2)=O)C(c2ccc3c(c2)OCCO3)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3035 |
| logD: | 2.2987 |
| logSw: | -2.8933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.653 |
| InChI Key: | KJVPRVPSMMGOSA-KRWDZBQOSA-N |