{3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid

Chemical Structure Depiction of
{3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Available: 115 mg
Amount:
mg
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Compound characteristics

Compound ID: C719-0220
Compound Name: {3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Molecular Weight: 455.94
Molecular Formula: C24 H26 Cl N3 O4
Smiles: CC(c1cccc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)=O
Stereo: ACHIRAL
logP: 3.8251
logD: 1.0584
logSw: -4.1076
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 77.706
InChI Key: ANSZRSSISXTHIJ-UHFFFAOYSA-N
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