2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-4990 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C20 H15 N5 O4 S |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6832 |
| logD: | 3.6826 |
| logSw: | -4.0435 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.822 |
| InChI Key: | VUCCWBOUZQUTRS-UHFFFAOYSA-N |