N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1278 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 371.45 |
| Molecular Formula: | C20 H21 N O4 S |
| Smiles: | COc1ccc(CCNC(c2cccc3C(CCSc23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4451 |
| logD: | 2.4451 |
| logSw: | -2.9686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.923 |
| InChI Key: | NHTGQMKINNFAGZ-UHFFFAOYSA-N |