methyl 6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
methyl 6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-1884 |
| Compound Name: | methyl 6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 512.48 |
| Molecular Formula: | C21 H15 F3 N2 O6 S2 |
| Smiles: | COC(c1c(c2ccc(cc2s1)SCC(Nc1ccc2c(c1)OCO2)=O)NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8949 |
| logD: | 1.2393 |
| logSw: | -4.2051 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.119 |
| InChI Key: | ABVKNCXIPTZTNJ-UHFFFAOYSA-N |