1-{5-chloro-4-[(2-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(2-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(2-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0061 |
| Compound Name: | 1-{5-chloro-4-[(2-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C22 H30 Cl N3 O3 |
| Smiles: | CC1CCCCC1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.864 |
| logD: | 1.5279 |
| logSw: | -4.0345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.807 |
| InChI Key: | SGJCEJDXDDWYSO-UHFFFAOYSA-N |