3-[5-chloro-4-(4-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(4-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(4-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
Compound ID: | C301-2167 |
Compound Name: | 3-[5-chloro-4-(4-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
Molecular Weight: | 431.89 |
Molecular Formula: | C22 H23 Cl F N3 O3 |
Smiles: | Cc1cc(ccc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)F |
Stereo: | ACHIRAL |
logP: | 4.3424 |
logD: | 2.0568 |
logSw: | -4.3344 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.206 |
InChI Key: | QPGSICPJLUSHPR-UHFFFAOYSA-N |