methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0172 |
| Compound Name: | methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 709.49 |
| Molecular Formula: | C24 H23 F16 N O3 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9733 |
| logD: | 2.8392 |
| logSw: | -5.8113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.49 |
| InChI Key: | IWQMIXJRUSSOHP-SECBINFHSA-N |