3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2151 |
| Compound Name: | 3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H20 Cl2 F N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(c(c1)[Cl])F)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7942 |
| logD: | 2.5085 |
| logSw: | -4.5313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | LCCJEJLYGBCCGJ-UHFFFAOYSA-N |