5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0066 |
| Compound Name: | 5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C25 H17 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c2ccc(cc2)C(C)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5652 |
| logD: | 4.5652 |
| logSw: | -4.5456 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.03 |
| InChI Key: | HGRMYGCZCFIVNI-NRFANRHFSA-N |