{3-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0216 |
| Compound Name: | {3-[5-chloro-6-oxo-4-(3,4,5-trimethoxyanilino)pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 503.98 |
| Molecular Formula: | C25 H30 Cl N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 3.4648 |
| logD: | 0.698 |
| logSw: | -3.7633 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.857 |
| InChI Key: | CDDZTQRSJPLKFH-UHFFFAOYSA-N |