N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y500-8770 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-diethoxyphenyl)acetamide |
| Molecular Weight: | 440.6 |
| Molecular Formula: | C25 H32 N2 O3 S |
| Smiles: | CCOc1ccc(CC(Nc2c(C#N)c3CCC(Cc3s2)C(C)(C)C)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2062 |
| logD: | 3.479 |
| logSw: | -5.1678 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.308 |
| InChI Key: | UBCZTMJKKKKYAV-QGZVFWFLSA-N |