4-(4-bromobenzoyl)-3-methyl-1-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-bromobenzoyl)-3-methyl-1-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-bromobenzoyl)-3-methyl-1-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1634 |
| Compound Name: | 4-(4-bromobenzoyl)-3-methyl-1-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 410.27 |
| Molecular Formula: | C20 H16 Br N3 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccccc2)n1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3866 |
| logD: | 3.3749 |
| logSw: | -3.6507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | QDXPUEQCVHHESO-MRXNPFEDSA-N |