2-(adamantan-1-yl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1369 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(4-ethoxyanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 399.92 |
| Molecular Formula: | C22 H26 Cl N3 O2 |
| Smiles: | CCOc1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.2082 |
| logD: | 5.2078 |
| logSw: | -5.6159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.619 |
| InChI Key: | SWQXOFNUMHAZMD-UHFFFAOYSA-N |