methyl 2-acetamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-acetamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8011-9062 |
| Compound Name: | methyl 2-acetamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C19 H24 F3 N3 O3 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2878 |
| logD: | 3.9182 |
| logSw: | -4.2839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.643 |
| InChI Key: | GDXFIXJLQIASOB-UHFFFAOYSA-N |