3-[5-chloro-4-(5-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(5-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(5-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2164 |
| Compound Name: | 3-[5-chloro-4-(5-fluoro-2-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C22 H23 Cl F N3 O3 |
| Smiles: | Cc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)F |
| Stereo: | ACHIRAL |
| logP: | 4.2458 |
| logD: | 1.9601 |
| logSw: | -4.3225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.206 |
| InChI Key: | HQFBIXIWVZJBFW-UHFFFAOYSA-N |