{3-[5-chloro-4-{[2-(4-chlorophenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[2-(4-chlorophenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[2-(4-chlorophenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0295 |
| Compound Name: | {3-[5-chloro-4-{[2-(4-chlorophenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 476.4 |
| Molecular Formula: | C24 H27 Cl2 N3 O3 |
| Smiles: | C(CNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3433 |
| logD: | 1.5766 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.043 |
| InChI Key: | INKYOUIGWSUECN-UHFFFAOYSA-N |