3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0243 |
| Compound Name: | 3-[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 369.37 |
| Molecular Formula: | C18 H12 F N3 O3 S |
| Smiles: | COc1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccccc2F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3015 |
| logD: | 4.3015 |
| logSw: | -4.4813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.192 |
| InChI Key: | IUEOIGMPIYWVBV-UHFFFAOYSA-N |