methyl 6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
methyl 6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-1890 |
| Compound Name: | methyl 6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C21 H17 F3 N2 O5 S2 |
| Smiles: | COC(c1c(c2ccc(cc2s1)SCC(Nc1ccc(cc1)OC)=O)NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0442 |
| logD: | 1.3886 |
| logSw: | -4.273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.548 |
| InChI Key: | VSNYCZLCPJBGNH-UHFFFAOYSA-N |