2-(adamantan-1-yl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1562 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3(2H)-one |
| Molecular Weight: | 423.86 |
| Molecular Formula: | C21 H21 Cl F3 N3 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cccc(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8825 |
| logD: | 5.8823 |
| logSw: | -6.3657 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.496 |
| InChI Key: | QHWVSBQRXHJIPB-UHFFFAOYSA-N |