1-{5-chloro-6-oxo-4-[4-(propoxycarbonyl)anilino]pyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-6-oxo-4-[4-(propoxycarbonyl)anilino]pyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-6-oxo-4-[4-(propoxycarbonyl)anilino]pyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
Compound ID: | C850-0090 |
Compound Name: | 1-{5-chloro-6-oxo-4-[4-(propoxycarbonyl)anilino]pyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
Molecular Weight: | 485.97 |
Molecular Formula: | C25 H28 Cl N3 O5 |
Smiles: | CCCOC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6075 |
logD: | 2.2714 |
logSw: | -4.4771 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.417 |
InChI Key: | AUUFLTMKBHNXGA-UHFFFAOYSA-N |