ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Compound characteristics
| Compound ID: | 8011-9189 |
| Compound Name: | ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C19 H24 F3 N3 O3 S |
| Smiles: | CCCCC(NC(C(=O)OCC)(C(F)(F)F)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4655 |
| logD: | 4.0958 |
| logSw: | -4.272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.11 |
| InChI Key: | KJNMVACUDHDZOI-GOSISDBHSA-N |