3-[2-(3-chloroanilino)-5-ethyl-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(3-chloroanilino)-5-ethyl-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[2-(3-chloroanilino)-5-ethyl-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-1919 |
| Compound Name: | 3-[2-(3-chloroanilino)-5-ethyl-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | CCc1c(C2=Cc3cccc(c3OC2=O)OC)nc(Nc2cccc(c2)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1398 |
| logD: | 6.1398 |
| logSw: | -6.0789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.932 |
| InChI Key: | XXZSWDKXNMTBJE-UHFFFAOYSA-N |