4-(1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1673 |
| Compound Name: | 4-(1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 419.87 |
| Molecular Formula: | C23 H18 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(C(CC(N2)=O)C(c2cc3ccccc3o2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7369 |
| logD: | 4.7075 |
| logSw: | -4.956 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.822 |
| InChI Key: | VTWCJSSTFPLSQK-HNNXBMFYSA-N |