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 |