N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethoxybenzamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | 3365-7983 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,5-dimethoxybenzamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cc(cc(c3)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4999 |
| logD: | 4.0934 |
| logSw: | -5.4418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.188 |
| InChI Key: | BAFHAARFUDTCRG-CQSZACIVSA-N |