methyl 2-{[2-(3-chlorobenzamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chlorobenzamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(3-chlorobenzamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4078 |
| Compound Name: | methyl 2-{[2-(3-chlorobenzamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 518.94 |
| Molecular Formula: | C22 H22 Cl F3 N2 O5 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)[Cl])=O)Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5466 |
| logD: | 3.4877 |
| logSw: | -5.9514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.169 |
| InChI Key: | JRIWVHXDYWPAIV-OAQYLSRUSA-N |