ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-8303 |
| Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate |
| Molecular Weight: | 407.41 |
| Molecular Formula: | C16 H20 F3 N3 O4 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0693 |
| logD: | 3.4696 |
| logSw: | -4.0972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.484 |
| InChI Key: | QRNKZGOCNUELPG-HNNXBMFYSA-N |