ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Compound characteristics
| Compound ID: | 8011-9167 |
| Compound Name: | ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate |
| Molecular Weight: | 455.45 |
| Molecular Formula: | C20 H20 F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccco1)=O)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5102 |
| logD: | 3.7226 |
| logSw: | -4.3436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.63 |
| InChI Key: | JAUPUAFTBVTESZ-UHFFFAOYSA-N |