1-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0058 |
| Compound Name: | 1-{5-chloro-4-[(2,3-dimethylcyclohexyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C23 H32 Cl N3 O3 |
| Smiles: | CC1CCCC(C1C)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6381 |
| logD: | 1.302 |
| logSw: | -3.7493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.807 |
| InChI Key: | WVEZDIYXZAELAZ-UHFFFAOYSA-N |