4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine
Chemical Structure Depiction of
4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine
4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine
Compound characteristics
Compound ID: | D141-0155 |
Compound Name: | 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine |
Molecular Weight: | 490.51 |
Molecular Formula: | C24 H19 F N6 O3 S |
Smiles: | COc1ccc(c(c1)c1nc(CSc2nnc(c3ccncc3)n2c2ccc(cc2)F)on1)OC |
Stereo: | ACHIRAL |
logP: | 4.3597 |
logD: | 4.3597 |
logSw: | -4.3813 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.658 |
InChI Key: | XVZRQPQXDVGKES-UHFFFAOYSA-N |