8-ethoxy-3-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
8-ethoxy-3-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1272 |
| Compound Name: | 8-ethoxy-3-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2ccccc2OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6369 |
| logD: | 4.6369 |
| logSw: | -4.4769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.173 |
| InChI Key: | YMELTXPRGDINJV-UHFFFAOYSA-N |