3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1764 |
| Compound Name: | 3-[5-(3-chloro-4-fluoroanilino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C21 H18 Cl F N4 O2 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccc(c(c2)[Cl])F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.8637 |
| logD: | 5.8637 |
| logSw: | -6.0409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.082 |
| InChI Key: | HHEIGBLLLVNOBZ-UHFFFAOYSA-N |