1-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0161 |
| Compound Name: | 1-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 405.92 |
| Molecular Formula: | C21 H28 Cl N3 O3 |
| Smiles: | C1CCC(CC1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5752 |
| logD: | 1.2391 |
| logSw: | -3.7323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.417 |
| InChI Key: | BECIXMWCXLSPGT-UHFFFAOYSA-N |