{3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1295 |
| Compound Name: | {3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 448 |
| Molecular Formula: | C24 H34 Cl N3 O3 |
| Smiles: | C1CCCC(CCC1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.1569 |
| logD: | 2.3901 |
| logSw: | -5.2521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.258 |
| InChI Key: | FGMIRHLRSYPWQE-UHFFFAOYSA-N |