methyl 2-(2-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-(2-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-(2-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-1243 |
| Compound Name: | methyl 2-(2-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 485.91 |
| Molecular Formula: | C21 H19 Cl F3 N3 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3ccccc3[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2708 |
| logD: | 3.1683 |
| logSw: | -5.6453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.472 |
| InChI Key: | QLEHHCFJOHOHIC-UHFFFAOYSA-N |