3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-8-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-8-ethoxy-2H-1-benzopyran-2-one
3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-8-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0515 |
| Compound Name: | 3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-8-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CCOc1cccc2C=C(C(=O)Oc12)c1csc(Nc2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7236 |
| logD: | 4.7236 |
| logSw: | -4.5942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.003 |
| InChI Key: | YEWMHMGQKYURMH-UHFFFAOYSA-N |