1-(4-bromophenyl)-4-(4-ethoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(4-ethoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(4-ethoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1189 |
| Compound Name: | 1-(4-bromophenyl)-4-(4-ethoxybenzoyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C22 H20 Br N3 O3 |
| Smiles: | CCOc1ccc(cc1)C(C1CC(Nc2c1c(C)nn2c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8771 |
| logD: | 3.8723 |
| logSw: | -4.0292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.953 |
| InChI Key: | YMOISQSGGDBXBW-SFHVURJKSA-N |