3-(3,4-dimethylphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
3-(3,4-dimethylphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
Compound characteristics
Compound ID: | F840-0464 |
Compound Name: | 3-(3,4-dimethylphenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine |
Molecular Weight: | 442.46 |
Molecular Formula: | C22 H17 F3 N4 O S |
Smiles: | Cc1ccc(cc1C)c1ccc(nn1)SCc1nc(c2ccc(cc2)C(F)(F)F)no1 |
Stereo: | ACHIRAL |
logP: | 6.6376 |
logD: | 6.6374 |
logSw: | -5.8032 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 52.142 |
InChI Key: | NKRKVCDRHJMBNY-UHFFFAOYSA-N |