ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0318 |
| Compound Name: | ethyl 2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C20 H27 Br N2 O5 S |
| Smiles: | CCOC(c1c2ccc(c(c2sc1NC(C)=O)OCC(CNC(C)(C)C)O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3958 |
| logD: | 0.8493 |
| logSw: | -3.6638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.721 |
| InChI Key: | YXEMGJLWVXKTDH-LBPRGKRZSA-N |