4-(4-bromobenzoyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-bromobenzoyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-bromobenzoyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1714 |
| Compound Name: | 4-(4-bromobenzoyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C21 H18 Br N3 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2)OC)n1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4905 |
| logD: | 3.4788 |
| logSw: | -3.6489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.374 |
| InChI Key: | LVDDCEGDYBGVCY-QGZVFWFLSA-N |