methyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-0627 |
| Compound Name: | methyl 2-benzamido-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C21 H20 F3 N3 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3ccccc3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7106 |
| logD: | 3.5219 |
| logSw: | -4.5559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.472 |
| InChI Key: | LIOQLRLLNDUXAR-UHFFFAOYSA-N |