ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
Compound characteristics
| Compound ID: | 8010-8311 |
| Compound Name: | ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate |
| Molecular Weight: | 519.46 |
| Molecular Formula: | C22 H19 F6 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)C(F)(F)F)=O)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6072 |
| logD: | 3.901 |
| logSw: | -5.5074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.052 |
| InChI Key: | LZGUYJSAYHORJW-HXUWFJFHSA-N |