{3-[4-(4-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[4-(4-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[4-(4-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1672 |
| Compound Name: | {3-[4-(4-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C24 H26 Cl N3 O4 |
| Smiles: | CC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6263 |
| logD: | 0.8596 |
| logSw: | -3.9901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.706 |
| InChI Key: | LTLOXTMYRYFHML-UHFFFAOYSA-N |