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
Available: 129 mg
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mg
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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
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