3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1765 |
| Compound Name: | 3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 417.84 |
| Molecular Formula: | C19 H13 Cl F N3 O3 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2ccc(c(c2)[Cl])F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3545 |
| logD: | 5.3545 |
| logSw: | -5.8973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.24 |
| InChI Key: | ZKIIXHAIWDZBSF-UHFFFAOYSA-N |