methyl 2-benzamido-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-benzamido-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-benzamido-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-8308 |
| Compound Name: | methyl 2-benzamido-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C19 H18 F3 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c2ccccc2)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.307 |
| logD: | 3.1184 |
| logSw: | -4.4254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.551 |
| InChI Key: | DFLZCSBCCIPDCP-GOSISDBHSA-N |