1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0052 |
| Compound Name: | 1-{5-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 486.97 |
| Molecular Formula: | C25 H28 Cl F N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)N1CCN(CC1)c1ccccc1F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8499 |
| logD: | 1.5138 |
| logSw: | -4.1198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.512 |
| InChI Key: | VMXGSZGGSSCHHS-UHFFFAOYSA-N |