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 |