ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)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-(4-fluorobenzamido)alaninate
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate
Compound characteristics
| Compound ID: | 8011-8130 |
| Compound Name: | ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-fluorobenzamido)alaninate |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C22 H21 F4 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccc(cc1)F)=O)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2668 |
| logD: | 3.1643 |
| logSw: | -5.2999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.052 |
| InChI Key: | ISHANKAEPZKAAS-UHFFFAOYSA-N |