rel-(5R,7S)-3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
rel-(5R,7S)-3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
rel-(5R,7S)-3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-1395 |
| Compound Name: | rel-(5R,7S)-3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 467.87 |
| Molecular Formula: | C22 H21 Cl F3 N3 O3 |
| Smiles: | [H][C@]12CC3(CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)Nc1cccc(c1)C(F)(F)F)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1073 |
| logD: | 2.8216 |
| logSw: | -5.2793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | KTOSLFZUUZNLMP-QQRKTFAASA-N |