3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0199 |
| Compound Name: | 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)Nc1nnc(C2=Cc3cccc(c3OC2=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6418 |
| logD: | 3.6418 |
| logSw: | -4.1328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.921 |
| InChI Key: | GYSHQQXLGRXPSZ-UHFFFAOYSA-N |