3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2155 |
| Compound Name: | 3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C23 H32 Cl N3 O3 |
| Smiles: | C1CCCC(CCC1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.1367 |
| logD: | 2.851 |
| logSw: | -5.2243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.282 |
| InChI Key: | RERUCIOCDOBYHE-UHFFFAOYSA-N |