N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenyl)acetamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 3366-8831 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenyl)acetamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(Cc3ccc(cc3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9306 |
| logD: | 3.2034 |
| logSw: | -4.7229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.269 |
| InChI Key: | DFMSRHMLWPXEPW-OAHLLOKOSA-N |