1-[5-chloro-4-(3,5-dimethylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(3,5-dimethylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(3,5-dimethylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0151 |
| Compound Name: | 1-[5-chloro-4-(3,5-dimethylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C22 H30 Cl N3 O3 |
| Smiles: | CC1CC(C)CN(C1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8424 |
| logD: | 1.5063 |
| logSw: | -3.9787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.42 |
| InChI Key: | ODYMWIZYAYYCJO-UHFFFAOYSA-N |