(3-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C301-1685 |
| Compound Name: | (3-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 448 |
| Molecular Formula: | C24 H34 Cl N3 O3 |
| Smiles: | CC1CCCC(C1C)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.228 |
| logD: | 1.4613 |
| logSw: | -4.1941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.317 |
| InChI Key: | LQYMXUQRAHDLAB-UHFFFAOYSA-N |