methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-3507 |
| Compound Name: | methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 527.99 |
| Molecular Formula: | C24 H25 Cl F3 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3cccc(c3)[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6017 |
| logD: | 4.5399 |
| logSw: | -6.3709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.472 |
| InChI Key: | ZTSPAGWGZUEXNR-UHFFFAOYSA-N |