N-[2-(4-ethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-[2-(4-ethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0516 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C22 H21 N O4 S2 |
| Smiles: | CCOc1ccc(CCNC(c2cc3CS(c4ccccc4c3s2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.78 |
| logD: | 3.78 |
| logSw: | -3.9193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.81 |
| InChI Key: | KRRFJCLKXUEGIE-UHFFFAOYSA-N |