1-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1671 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C23 H20 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(C(CC(N2)=O)C(c2ccc3c(c2)OCCO3)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9876 |
| logD: | 2.9828 |
| logSw: | -3.5418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.352 |
| InChI Key: | FYFSTTCREATXJB-HNNXBMFYSA-N |