{3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1681 |
| Compound Name: | {3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C24 H28 Cl N3 O5 |
| Smiles: | COc1ccc(c(c1)OC)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.0888 |
| logD: | 1.3221 |
| logSw: | -4.4268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.356 |
| InChI Key: | TXLOSIHBMBAQPZ-UHFFFAOYSA-N |