1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1209 |
| Compound Name: | 1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C20 H18 Br N3 O2 S |
| Smiles: | CCc1ccc(C(C2CC(Nc3c2c(C)nn3c2ccc(cc2)[Br])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4289 |
| logD: | 4.3585 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.848 |
| InChI Key: | RAKWAXDQDNUZPQ-HNNXBMFYSA-N |