N-[(4-bromophenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
N-[(4-bromophenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0681 |
| Compound Name: | N-[(4-bromophenyl)methyl]-1-(4-fluorobenzene-1-sulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 477.31 |
| Molecular Formula: | C19 H14 Br F N4 O3 S |
| Smiles: | C(c1ccc(cc1)[Br])Nc1nc(c2ccco2)nn1S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2001 |
| logD: | 4.2001 |
| logSw: | -4.3565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.812 |
| InChI Key: | AQZFNXZHQXHMSA-UHFFFAOYSA-N |