{3-[5-chloro-4-(5-chloro-2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(5-chloro-2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(5-chloro-2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0210 |
| Compound Name: | {3-[5-chloro-4-(5-chloro-2,4-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 508.4 |
| Molecular Formula: | C24 H27 Cl2 N3 O5 |
| Smiles: | COc1cc(c(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.6424 |
| logD: | 1.8757 |
| logSw: | -4.516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.442 |
| InChI Key: | NUCWLOYWHOTSLO-UHFFFAOYSA-N |