1-(4-bromophenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1171 |
| Compound Name: | 1-(4-bromophenyl)-4-(2,5-dimethylbenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 438.32 |
| Molecular Formula: | C22 H20 Br N3 O2 |
| Smiles: | Cc1ccc(C)c(c1)C(C1CC(Nc2c1c(C)nn2c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3826 |
| logD: | 4.3778 |
| logSw: | -4.259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | JVAVAZLCFTYNME-SFHVURJKSA-N |