1-{5-chloro-4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0154 |
| Compound Name: | 1-{5-chloro-4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 497.04 |
| Molecular Formula: | C27 H33 Cl N4 O3 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3128 |
| logD: | 1.9767 |
| logSw: | -4.262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.032 |
| InChI Key: | RXNWENFCAPZOGA-UHFFFAOYSA-N |