methyl 2-acetamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-acetamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8011-9118 |
| Compound Name: | methyl 2-acetamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C16 H18 F3 N3 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(C)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1645 |
| logD: | 2.7949 |
| logSw: | -3.4178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.643 |
| InChI Key: | IDFDZVLEBLBRIA-UHFFFAOYSA-N |