[3-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-cyano-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]acetic acid
Chemical Structure Depiction of
[3-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-cyano-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]acetic acid
[3-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-cyano-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]acetic acid
Compound characteristics
Compound ID: | 8004-8510 |
Compound Name: | [3-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-5-cyano-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]acetic acid |
Molecular Weight: | 426.81 |
Molecular Formula: | C20 H15 Cl N4 O5 |
Smiles: | CC1/C(=C\c2c(C)nn(c3ccc(cc3)[Cl])c2O)C(N(CC(O)=O)C(C=1C#N)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.3732 |
logD: | -3.4478 |
logSw: | -2.1242 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 104.687 |
InChI Key: | WSKHTTQBFWDQAN-VGOFMYFVSA-N |