methyl 6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
methyl 6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-1888 |
| Compound Name: | methyl 6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C21 H17 F3 N2 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSc1ccc2c(c(C(=O)OC)sc2c1)NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4852 |
| logD: | 1.8296 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.004 |
| InChI Key: | UDFLPANCBVPDAW-UHFFFAOYSA-N |