ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Compound characteristics
| Compound ID: | 8010-8309 |
| Compound Name: | ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H26 F3 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(CC(C)C)=O)Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.071 |
| logD: | 4.7014 |
| logSw: | -4.563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.441 |
| InChI Key: | XWWUVRJPKBGJEJ-LJQANCHMSA-N |