7-ethoxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-ethoxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
7-ethoxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1814-2006 |
| Compound Name: | 7-ethoxy-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | CCOc1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccc(C)cc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0728 |
| logD: | 5.0728 |
| logSw: | -4.742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.47 |
| InChI Key: | CYTNPQRXJJMLCC-UHFFFAOYSA-N |