4-(4-bromobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-bromobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-bromobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1419 |
| Compound Name: | 4-(4-bromobenzoyl)-1-(3-ethylphenyl)-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: | CCc1cccc(c1)n1c2c(C(CC(N2)=O)C(c2ccc(cc2)[Br])=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.392 |
| logD: | 4.3803 |
| logSw: | -4.2923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | VHAQSFWFXQBCPF-GOSISDBHSA-N |