3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0040 |
| Compound Name: | 3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | COc1ccc(c(c1)Nc1nnc(C2=Cc3ccccc3OC2=O)s1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1009 |
| logD: | 4.1009 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.822 |
| InChI Key: | FSLGKJGYHSQXFW-UHFFFAOYSA-N |