ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate
Compound characteristics
| Compound ID: | 8011-9190 |
| Compound Name: | ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-pentanamidoalaninate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C19 H26 F3 N3 O4 S |
| Smiles: | CCCCC(NC(C(=O)OCC)(C(F)(F)F)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7826 |
| logD: | 2.5238 |
| logSw: | -3.1122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.113 |
| InChI Key: | OQKARIMHVKBIOW-GOSISDBHSA-N |