1-[5-chloro-4-(2,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(2,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(2,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0089 |
| Compound Name: | 1-[5-chloro-4-(2,4-dimethylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | Cc1ccc(c(C)c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2364 |
| logD: | 1.9003 |
| logSw: | -4.327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.671 |
| InChI Key: | ZKFCIFOAILHKGC-UHFFFAOYSA-N |