1-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0001 |
| Compound Name: | 1-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 351.83 |
| Molecular Formula: | C17 H22 Cl N3 O3 |
| Smiles: | CN(C)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8836 |
| logD: | -0.4525 |
| logSw: | -2.4765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.905 |
| InChI Key: | NMTLANMRBIWXBV-UHFFFAOYSA-N |