3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2203-2805 |
| Compound Name: | 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 420.27 |
| Molecular Formula: | C18 H11 Cl2 N3 O3 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nnc(Nc3ccc(cc3[Cl])[Cl])s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3638 |
| logD: | 5.3638 |
| logSw: | -6.021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.192 |
| InChI Key: | NXYSDAZYNGRAQK-UHFFFAOYSA-N |