(3-{5-chloro-6-oxo-4-[(2-phenylpropyl)amino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-6-oxo-4-[(2-phenylpropyl)amino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-6-oxo-4-[(2-phenylpropyl)amino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C719-0331 |
| Compound Name: | (3-{5-chloro-6-oxo-4-[(2-phenylpropyl)amino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | CC(CNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7938 |
| logD: | 2.027 |
| logSw: | -4.5904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.202 |
| InChI Key: | RZHZLQJEADSWBO-UHFFFAOYSA-N |