1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0073 |
| Compound Name: | 1-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 497.04 |
| Molecular Formula: | C27 H33 Cl N4 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7949 |
| logD: | 2.4588 |
| logSw: | -4.5155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.512 |
| InChI Key: | PSDDTMXSHBUCNJ-UHFFFAOYSA-N |