3-(4-fluorophenyl)-2-[4-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(4-fluorophenyl)-2-[4-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-fluorophenyl)-2-[4-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1711-1474 |
| Compound Name: | 3-(4-fluorophenyl)-2-[4-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H13 F N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2csc(C(=C\c3ccc(cc3)F)\C#N)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9072 |
| logD: | 4.9072 |
| logSw: | -4.8984 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.222 |
| InChI Key: | YKJZKVFFWSEPNN-UHFFFAOYSA-N |