2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y500-0096 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C20 H15 N5 O4 S |
| Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5411 |
| logD: | 3.5399 |
| logSw: | -3.7894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.822 |
| InChI Key: | IMOWZCFZASLGEN-UHFFFAOYSA-N |