4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
Compound ID: | J013-1423 |
Compound Name: | 4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 393.87 |
Molecular Formula: | C22 H20 Cl N3 O2 |
Smiles: | CCc1cccc(c1)n1c2c(C(CC(N2)=O)C(c2ccc(cc2)[Cl])=O)c(C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1528 |
logD: | 4.1411 |
logSw: | -4.4722 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.83 |
InChI Key: | HDNZYWPHEAXHLC-GOSISDBHSA-N |