{3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1683 |
| Compound Name: | {3-[5-chloro-4-(3-chloro-4-fluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 466.34 |
| Molecular Formula: | C22 H22 Cl2 F N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(c(c1)[Cl])F)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8144 |
| logD: | 2.0476 |
| logSw: | -4.5219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | MUEIRPJHJZSBMC-UHFFFAOYSA-N |