(3-{5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0281 |
| Compound Name: | (3-{5-chloro-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 531.48 |
| Molecular Formula: | C27 H32 Cl2 N4 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5438 |
| logD: | 2.7771 |
| logSw: | -5.7336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.023 |
| InChI Key: | XCUJGUKXGPBGLR-UHFFFAOYSA-N |