N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-fluorobenzamide
N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-fluorobenzamide
Compound characteristics
Compound ID: | F938-0173 |
Compound Name: | N-[2-({3-bromo-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-fluorobenzamide |
Molecular Weight: | 497.39 |
Molecular Formula: | C23 H18 Br F N4 O S |
Smiles: | Cc1ccc(Cn2c(nc(n2)[Br])Sc2ccccc2NC(c2cccc(c2)F)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.7284 |
logD: | 5.7284 |
logSw: | -5.4059 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.428 |
InChI Key: | UOBWTUXBGLMYNL-UHFFFAOYSA-N |