{3-[5-chloro-4-(3-chloro-4-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(3-chloro-4-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(3-chloro-4-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1377 |
| Compound Name: | {3-[5-chloro-4-(3-chloro-4-methoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 478.37 |
| Molecular Formula: | C23 H25 Cl2 N3 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.5948 |
| logD: | 1.8281 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.51 |
| InChI Key: | RQMLRMFEIGDOTC-UHFFFAOYSA-N |