3-[5-chloro-6-oxo-4-(3-phenylpyrrolidin-1-yl)pyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-6-oxo-4-(3-phenylpyrrolidin-1-yl)pyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-6-oxo-4-(3-phenylpyrrolidin-1-yl)pyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2822 |
| Compound Name: | 3-[5-chloro-6-oxo-4-(3-phenylpyrrolidin-1-yl)pyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | C1CN(CC1c1ccccc1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.871 |
| logD: | 2.5854 |
| logSw: | -4.6712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.116 |
| InChI Key: | CZPYTOONWCBYGS-UHFFFAOYSA-N |