1-(4-bromophenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1182 |
| Compound Name: | 1-(4-bromophenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C21 H18 Br N3 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2)[Br])n1)=O)C(c1ccc(c(c1)OC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7895 |
| logD: | 2.6149 |
| logSw: | -3.1543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.008 |
| InChI Key: | MOOSPBCFGVYAKQ-HNNXBMFYSA-N |