3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2159 |
| Compound Name: | 3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C23 H26 Cl N3 O5 |
| Smiles: | COc1ccc(cc1OC)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1 |
| Stereo: | ACHIRAL |
| logP: | 3.599 |
| logD: | 1.3133 |
| logSw: | -3.7462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.165 |
| InChI Key: | AKLLQNNQSJXFRE-UHFFFAOYSA-N |