3-(furan-2-yl)-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(furan-2-yl)-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(furan-2-yl)-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4198 |
| Compound Name: | 3-(furan-2-yl)-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | C(/C=C/c1ccc(cc1)[N+]([O-])=O)Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8565 |
| logD: | 4.8565 |
| logSw: | -4.9331 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.672 |
| InChI Key: | UVVMDHNBXWEUQX-UHFFFAOYSA-N |