ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8010-5383 |
| Compound Name: | ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C16 H21 F3 N4 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(N(C)C)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2786 |
| logD: | 2.9103 |
| logSw: | -3.5478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.861 |
| InChI Key: | HHJJXGKDGJKDAG-HNNXBMFYSA-N |