4-(4-cyclohexylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-cyclohexylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-cyclohexylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1402 |
| Compound Name: | 4-(4-cyclohexylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C28 H31 N3 O2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(CC(N2)=O)C(c2ccc(cc2)C2CCCCC2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0578 |
| logD: | 6.053 |
| logSw: | -5.3841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | HWGQMTPAAGSRMA-QHCPKHFHSA-N |