N-(2,6-difluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(2,6-difluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(2,6-difluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
Compound ID: | J021-2564 |
Compound Name: | N-(2,6-difluorophenyl)-3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
Molecular Weight: | 394.4 |
Molecular Formula: | C16 H16 F2 N6 O2 S |
Smiles: | CCc1nnc([nH]1)SCc1nc(CCC(Nc2c(cccc2F)F)=O)on1 |
Stereo: | ACHIRAL |
logP: | 1.8314 |
logD: | 1.497 |
logSw: | -2.3844 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.823 |
InChI Key: | BUEDTRAWXAFEDK-UHFFFAOYSA-N |