N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-fluorobenzamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | K415-0119 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-fluorobenzamide |
| Molecular Weight: | 437.27 |
| Molecular Formula: | C21 H14 Br F N4 O |
| Smiles: | c1cc(ccc1C(Nc1ccc(cc1)n1c(cnn1)c1ccc(cc1)[Br])=O)F |
| Stereo: | ACHIRAL |
| logP: | 5.2526 |
| logD: | 5.2518 |
| logSw: | -5.4592 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.314 |
| InChI Key: | SPNGWEGSCHWERE-UHFFFAOYSA-N |