ethyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
ethyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8011-9117 |
| Compound Name: | ethyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H22 F3 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccccc1)=O)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1326 |
| logD: | 3.944 |
| logSw: | -5.0728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.052 |
| InChI Key: | NKJPROVRYKGCCC-UHFFFAOYSA-N |