N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide
Compound characteristics
Compound ID: | C301-9249 |
Compound Name: | N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]thiophene-2-carboxamide |
Molecular Weight: | 489.39 |
Molecular Formula: | C20 H14 Br F N4 O S2 |
Smiles: | C(c1ccc(cc1)F)n1c(nnc1[Br])Sc1ccccc1NC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.0183 |
logD: | 5.0183 |
logSw: | -4.7862 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.252 |
InChI Key: | YODBCGJTEUCSJC-UHFFFAOYSA-N |