ethyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
ethyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-0630 |
| Compound Name: | ethyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C21 H28 F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(=O)OCC)Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5961 |
| logD: | 4.9964 |
| logSw: | -5.3689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.404 |
| InChI Key: | KXSJPHPYRJZJFJ-UHFFFAOYSA-N |