2-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 5629-0032 |
| Compound Name: | 2-(5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C23 H14 F N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(c2ccc(cc2)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7413 |
| logD: | 4.7413 |
| logSw: | -4.6961 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.604 |
| InChI Key: | ZVQXUIJZXKXNKU-UHFFFAOYSA-N |