2-(adamantan-1-yl)-4-chloro-5-[2-(morpholin-4-yl)-5-(trifluoromethyl)anilino]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-[2-(morpholin-4-yl)-5-(trifluoromethyl)anilino]pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-[2-(morpholin-4-yl)-5-(trifluoromethyl)anilino]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1565 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-[2-(morpholin-4-yl)-5-(trifluoromethyl)anilino]pyridazin-3(2H)-one |
| Molecular Weight: | 508.97 |
| Molecular Formula: | C25 H28 Cl F3 N4 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8597 |
| logD: | 5.7536 |
| logSw: | -6.2605 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.858 |
| InChI Key: | TYSGEBGPYQHFQW-UHFFFAOYSA-N |