ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-6638 |
| Compound Name: | ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C18 H23 F3 N4 O3 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(N(C)C)=O)Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7441 |
| logD: | 3.3875 |
| logSw: | -4.0994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.113 |
| InChI Key: | FXXRDILPKIXWME-KRWDZBQOSA-N |