8-ethoxy-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
8-ethoxy-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0480 |
| Compound Name: | 8-ethoxy-3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C19 H14 F N3 O3 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2ccccc2F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6639 |
| logD: | 4.6639 |
| logSw: | -4.4589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.543 |
| InChI Key: | OYZMQRHFLDOQHA-UHFFFAOYSA-N |