methyl 2-(3-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-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
Compound ID: | 8012-0628 |
Compound Name: | methyl 2-(3-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(c3cccc(c3)[Cl])=O)sc2C1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.4784 |
logD: | 3.4166 |
logSw: | -6.0463 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.472 |
InChI Key: | QCOVOAYRBCLSCG-UHFFFAOYSA-N |