N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8012-9168 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CCOc1ccc(CC(Nc2c(C#N)c3CCCCCc3s2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1449 |
| logD: | 2.4177 |
| logSw: | -4.3262 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.639 |
| InChI Key: | RSKAWUJSVOKHPS-UHFFFAOYSA-N |