1-[5-chloro-4-(methylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(methylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(methylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0142 |
| Compound Name: | 1-[5-chloro-4-(methylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 337.8 |
| Molecular Formula: | C16 H20 Cl N3 O3 |
| Smiles: | CNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4726 |
| logD: | -0.8635 |
| logSw: | -2.3865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.113 |
| InChI Key: | YIHCXWCOQLUFGG-UHFFFAOYSA-N |