{3-[5-chloro-4-(3,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(3,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(3,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1678 |
| Compound Name: | {3-[5-chloro-4-(3,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1C)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.0716 |
| logD: | 2.3049 |
| logSw: | -4.9491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | GEBSQEBQKCCCFD-UHFFFAOYSA-N |