3-amino-2-heptyl-6-(2,2,2-trifluoroethoxy)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-amino-2-heptyl-6-(2,2,2-trifluoroethoxy)-1H-1-benzothiophene-1,1-dione
3-amino-2-heptyl-6-(2,2,2-trifluoroethoxy)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | 8018-1908 |
| Compound Name: | 3-amino-2-heptyl-6-(2,2,2-trifluoroethoxy)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C17 H22 F3 N O3 S |
| Smiles: | CCCCCCCC1=C(c2ccc(cc2S1(=O)=O)OCC(F)(F)F)N |
| Stereo: | ACHIRAL |
| logP: | 4.8248 |
| logD: | 4.8248 |
| logSw: | -4.8412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.111 |
| InChI Key: | UUOXXYUHDXZUBD-UHFFFAOYSA-N |