methyl 2-{[1,1,1-trifluoro-3-methoxy-2-(2-methoxybenzamido)-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1,1,1-trifluoro-3-methoxy-2-(2-methoxybenzamido)-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1,1,1-trifluoro-3-methoxy-2-(2-methoxybenzamido)-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8602-0340 |
| Compound Name: | methyl 2-{[1,1,1-trifluoro-3-methoxy-2-(2-methoxybenzamido)-3-oxopropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 500.49 |
| Molecular Formula: | C22 H23 F3 N2 O6 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C(=O)OC)(C(F)(F)F)NC(c1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2867 |
| logD: | 1.846 |
| logSw: | -4.6102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.22 |
| InChI Key: | VBBUPVBNMLIWMB-OAQYLSRUSA-N |