2-(3-methyl-1-benzofuran-2-yl)-5-[(2-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3-methyl-1-benzofuran-2-yl)-5-[(2-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-methyl-1-benzofuran-2-yl)-5-[(2-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0414 |
| Compound Name: | 2-(3-methyl-1-benzofuran-2-yl)-5-[(2-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C20 H12 N4 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3c(C)c4ccccc4o3)n2)S1)=O)\c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8566 |
| logD: | 4.8566 |
| logSw: | -4.9138 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.802 |
| InChI Key: | KSXVKVXVAVGQSG-UHFFFAOYSA-N |