methyl 2-benzamido-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-benzamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-benzamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-1245 |
| Compound Name: | methyl 2-benzamido-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 493.55 |
| Molecular Formula: | C24 H26 F3 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3ccccc3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8339 |
| logD: | 4.6452 |
| logSw: | -5.6585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.472 |
| InChI Key: | OZAOSKACZKBUBJ-UHFFFAOYSA-N |