3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid

Chemical Structure Depiction of
3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Available: 132 mg
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mg
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Compound characteristics

Compound ID: C301-2219
Compound Name: 3-{5-chloro-4-[4-(methoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Molecular Weight: 457.91
Molecular Formula: C23 H24 Cl N3 O5
Smiles: COC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)=O
Stereo: ACHIRAL
logP: 4.1548
logD: 1.8691
logSw: -4.293
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 85.078
InChI Key: DNKFGSHKUNQSLI-UHFFFAOYSA-N
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