1-[5-chloro-4-(2,5-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(2,5-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(2,5-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0019 |
| Compound Name: | 1-[5-chloro-4-(2,5-dimethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C23 H26 Cl N3 O5 |
| Smiles: | COc1ccc(c(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4372 |
| logD: | 1.1011 |
| logSw: | -3.734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.846 |
| InChI Key: | LKICVQOKNMYJIT-UHFFFAOYSA-N |