N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-2228 |
| Compound Name: | N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C23 H16 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)c1csc(c1C#N)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6236 |
| logD: | 3.1511 |
| logSw: | -4.2213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.091 |
| InChI Key: | MAWPGDLKZWUKFI-UHFFFAOYSA-N |