{3-[4-(4-bromo-3-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[4-(4-bromo-3-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[4-(4-bromo-3-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1777 |
| Compound Name: | {3-[4-(4-bromo-3-methylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 506.83 |
| Molecular Formula: | C23 H25 Br Cl N3 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.2588 |
| logD: | 2.492 |
| logSw: | -5.4927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | XHIWHUQJQAJNEV-UHFFFAOYSA-N |