N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}furan-2-carboxamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | F938-0137 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}furan-2-carboxamide |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C20 H15 Br N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Br])Sc1ccccc1NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4548 |
| logD: | 4.4548 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.007 |
| InChI Key: | AWJAUPKTJUFCGK-UHFFFAOYSA-N |