1-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
Compound ID: | C850-0016 |
Compound Name: | 1-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
Molecular Weight: | 489.96 |
Molecular Formula: | C24 H28 Cl N3 O6 |
Smiles: | COc1cc(cc(c1OC)OC)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8749 |
logD: | 0.5388 |
logSw: | -3.5014 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.347 |
InChI Key: | HPQPLDZGEOZWRJ-UHFFFAOYSA-N |