N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-5-bromofuran-2-carboxamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | C301-9434 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-5-bromofuran-2-carboxamide |
| Molecular Weight: | 489.78 |
| Molecular Formula: | C20 H14 Br Cl N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Cl])Sc1ccccc1NC(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1922 |
| logD: | 5.1922 |
| logSw: | -5.6259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.388 |
| InChI Key: | FWACNGWBCDPLHP-UHFFFAOYSA-N |