3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0515 |
| Compound Name: | 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2ccc(c(c2)OC)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1593 |
| logD: | 4.1593 |
| logSw: | -4.41 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.501 |
| InChI Key: | LQHWLSQVWIVFRF-UHFFFAOYSA-N |