3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1411 |
| Compound Name: | 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.25 |
| Molecular Formula: | C17 H9 Cl2 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nnc(Nc2ccc(cc2[Cl])[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3592 |
| logD: | 5.3592 |
| logSw: | -5.9676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.648 |
| InChI Key: | FOLDCIFIFDZCAM-UHFFFAOYSA-N |