3-{5-chloro-6-oxo-4-[(2-phenylethyl)amino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-{5-chloro-6-oxo-4-[(2-phenylethyl)amino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
3-{5-chloro-6-oxo-4-[(2-phenylethyl)amino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2224 |
| Compound Name: | 3-{5-chloro-6-oxo-4-[(2-phenylethyl)amino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | C(CNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7284 |
| logD: | 1.4428 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.067 |
| InChI Key: | SQNYUQZVNJIZKC-UHFFFAOYSA-N |