ethyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
ethyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-0682 |
| Compound Name: | ethyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 499.94 |
| Molecular Formula: | C22 H21 Cl F3 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)[Cl])=O)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9005 |
| logD: | 3.8387 |
| logSw: | -6.0757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.052 |
| InChI Key: | YJLLITBNUKTPLM-UHFFFAOYSA-N |