1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0097 |
| Compound Name: | 1-[4-(4-carboxyanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C22 H22 Cl N3 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)Nc1ccc(cc1)C(O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3426 |
| logD: | 0.9474 |
| logSw: | -3.7301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.777 |
| InChI Key: | NQIIUJFRROHBSQ-UHFFFAOYSA-N |