4-benzoyl-1-(3-chloro-4-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-benzoyl-1-(3-chloro-4-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-benzoyl-1-(3-chloro-4-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-0001 |
| Compound Name: | 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 379.84 |
| Molecular Formula: | C21 H18 Cl N3 O2 |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(CC(N2)=O)C(c2ccccc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.819 |
| logD: | 3.8142 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.83 |
| InChI Key: | KUYIVBDAFLHGRB-INIZCTEOSA-N |