1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0054 |
| Compound Name: | 1-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 420.94 |
| Molecular Formula: | C21 H29 Cl N4 O3 |
| Smiles: | CCN1CCN(CC1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1989 |
| logD: | -0.1372 |
| logSw: | -2.5922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.09 |
| InChI Key: | FCXSZGZWJTZKAH-UHFFFAOYSA-N |