N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Chemical Structure Depiction of
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide
Compound characteristics
| Compound ID: | K232-1776 |
| Compound Name: | N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~4~-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]butanediamide |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C26 H25 N3 O6 S |
| Smiles: | COc1ccc(CCNC(CCC(Nc2nc(cs2)C2=Cc3ccccc3OC2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2647 |
| logD: | 2.2536 |
| logSw: | -2.9926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.387 |
| InChI Key: | OKDPOUUTYPTKQK-UHFFFAOYSA-N |