ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]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-(trifluoromethyl)benzamido]alaninate
ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
Compound characteristics
| Compound ID: | 8010-7332 |
| Compound Name: | ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate |
| Molecular Weight: | 533.49 |
| Molecular Formula: | C23 H21 F6 N3 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)C(F)(F)F)=O)Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1031 |
| logD: | 4.397 |
| logSw: | -5.5233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.383 |
| InChI Key: | SYCGZWUCXNFIRM-OAQYLSRUSA-N |