methyl 6-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
methyl 6-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-1886 |
| Compound Name: | methyl 6-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 528.52 |
| Molecular Formula: | C22 H19 F3 N2 O6 S2 |
| Smiles: | COC(c1c(c2ccc(cc2s1)SCC(Nc1ccc(c(c1)OC)OC)=O)NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5967 |
| logD: | 0.9411 |
| logSw: | -3.9906 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.265 |
| InChI Key: | HEBSDNGFYAIJEG-UHFFFAOYSA-N |