2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2623 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9237 |
| logD: | 3.9237 |
| logSw: | -4.1803 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.919 |
| InChI Key: | REQKFNDARKIEKV-UHFFFAOYSA-N |