{3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1783 |
| Compound Name: | {3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C22 H30 Cl N3 O3 |
| Smiles: | C1CCC(CC1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.165 |
| logD: | 1.3983 |
| logSw: | -4.2037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.927 |
| InChI Key: | NVXACPUFXQQVDP-UHFFFAOYSA-N |