2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | F019-5957 |
| Compound Name: | 2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C19 H13 Cl N4 O4 S |
| Smiles: | Cn1c(c2cc3cc(ccc3o2)[Cl])nnc1SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6924 |
| logD: | 4.6924 |
| logSw: | -4.918 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.972 |
| InChI Key: | OGIZWUZFPBKJET-UHFFFAOYSA-N |