methyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
methyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-1887 |
| Compound Name: | methyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 502.92 |
| Molecular Formula: | C20 H14 Cl F3 N2 O4 S2 |
| Smiles: | COC(c1c(c2ccc(cc2s1)SCC(Nc1ccc(cc1)[Cl])=O)NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6565 |
| logD: | 2.001 |
| logSw: | -4.8192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.004 |
| InChI Key: | JPRSGBUMLVNHOA-UHFFFAOYSA-N |