3-[5-chloro-4-(5-chloro-2-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(5-chloro-2-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(5-chloro-2-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2223 |
| Compound Name: | 3-[5-chloro-4-(5-chloro-2-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 464.35 |
| Molecular Formula: | C22 H23 Cl2 N3 O4 |
| Smiles: | COc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5764 |
| logD: | 2.2907 |
| logSw: | -4.551 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.836 |
| InChI Key: | RMLPEIHTNVVMEV-UHFFFAOYSA-N |