3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1762 |
| Compound Name: | 3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 403.82 |
| Molecular Formula: | C18 H11 Cl F N3 O3 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nnc(Nc3ccc(c(c3)[Cl])F)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8928 |
| logD: | 4.8928 |
| logSw: | -5.1403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.89 |
| InChI Key: | CTOYXDOURKKEGO-UHFFFAOYSA-N |