2-(adamantan-1-yl)-4-chloro-5-(5-fluoro-2-methylanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(5-fluoro-2-methylanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(5-fluoro-2-methylanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0137 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(5-fluoro-2-methylanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 387.88 |
| Molecular Formula: | C21 H23 Cl F N3 O |
| Smiles: | Cc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)F |
| Stereo: | ACHIRAL |
| logP: | 5.021 |
| logD: | 5.0209 |
| logSw: | -5.1018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.798 |
| InChI Key: | XIOKOCAETLISQJ-UHFFFAOYSA-N |