ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-0629 |
| Compound Name: | ethyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate |
| Molecular Weight: | 433.45 |
| Molecular Formula: | C18 H22 F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(=O)OCC)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4728 |
| logD: | 3.8731 |
| logSw: | -4.3199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.404 |
| InChI Key: | XFJHEMDMGIKTPT-UHFFFAOYSA-N |