2-[2-(4-fluorophenyl)ethenyl]-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[2-(4-fluorophenyl)ethenyl]-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[2-(4-fluorophenyl)ethenyl]-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-4377 |
| Compound Name: | 2-[2-(4-fluorophenyl)ethenyl]-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C23 H16 F N3 O2 S |
| Smiles: | CC1C(=Cc2ccccc2O1)/C=C1/C(n2c(nc(/C=C/c3ccc(cc3)F)n2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1886 |
| logD: | 5.1886 |
| logSw: | -5.1434 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.838 |
| InChI Key: | NHXAGLSUTCNPLW-AWEZNQCLSA-N |