3-(2-fluoroanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2-fluoroanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2-fluoroanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-4025 |
| Compound Name: | 3-(2-fluoroanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 434.4 |
| Molecular Formula: | C21 H11 F N4 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(C(=C/Nc2ccccc2F)/C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5429 |
| logD: | 4.5429 |
| logSw: | -4.6813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.963 |
| InChI Key: | YCCAOTSYHXGAIZ-UHFFFAOYSA-N |