3-[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
3-[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1755 |
| Compound Name: | 3-[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | CCOc1ccccc1Nc1nnc(C2=Cc3ccc(cc3OC2=O)O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1605 |
| logD: | 4.0877 |
| logSw: | -4.2769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.475 |
| InChI Key: | BDSHRPVLNFHOPF-UHFFFAOYSA-N |