(3-{5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0285 |
| Compound Name: | (3-{5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 517.45 |
| Molecular Formula: | C26 H30 Cl2 N4 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)N1CCN(CC1)c1cccc(c1)[Cl])[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8448 |
| logD: | 2.0781 |
| logSw: | -4.6746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.324 |
| InChI Key: | JJNYENONIQEYPU-UHFFFAOYSA-N |