2-(adamantan-1-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1398 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C20 H21 Cl F N3 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cccc(c1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9926 |
| logD: | 4.9926 |
| logSw: | -5.205 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.496 |
| InChI Key: | CBQMSHTXRHJNKU-UHFFFAOYSA-N |