(3-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
Compound ID: | C719-0283 |
Compound Name: | (3-{5-chloro-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
Molecular Weight: | 511.06 |
Molecular Formula: | C28 H35 Cl N4 O3 |
Smiles: | Cc1cccc(c1C)N1CCN(CC1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
Stereo: | ACHIRAL |
logP: | 5.3848 |
logD: | 2.6181 |
logSw: | -5.6199 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.023 |
InChI Key: | LYKAQQZEWMOXBA-UHFFFAOYSA-N |