methyl N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Chemical Structure Depiction of
methyl N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
methyl N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Compound characteristics
| Compound ID: | 8012-0626 |
| Compound Name: | methyl N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C22 H23 F3 N4 O3 S |
| Smiles: | CCC(NC(C(=O)OC)(C(F)(F)F)Nc1c(C#N)c2CCN(Cc3ccccc3)Cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6225 |
| logD: | 2.8824 |
| logSw: | -4.0159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.004 |
| InChI Key: | WCWSVWGPBOTVNL-OAQYLSRUSA-N |