1-(4-bromophenyl)-4-(4-ethoxy-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-ethoxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(4-ethoxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1203 |
| Compound Name: | 1-(4-bromophenyl)-4-(4-ethoxy-3-methoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C23 H22 Br N3 O4 |
| Smiles: | CCOc1ccc(cc1OC)C(C1CC(Nc2c1c(C)nn2c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5519 |
| logD: | 3.5471 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.671 |
| InChI Key: | OETNMSYJUUAIGM-KRWDZBQOSA-N |