2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0169 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 474.45 |
| Molecular Formula: | C23 H14 N4 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.513 |
| logD: | 4.513 |
| logSw: | -4.705 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.283 |
| InChI Key: | WLRSEVLGCSEBAZ-IBGZPJMESA-N |