3-{5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-{5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
3-{5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2166 |
| Compound Name: | 3-{5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C22 H30 Cl N3 O3 |
| Smiles: | CC1CCC(CC1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9533 |
| logD: | 2.6676 |
| logSw: | -4.5603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.951 |
| InChI Key: | DYNLSVOPYFUVLY-UHFFFAOYSA-N |