methyl 2-[2-(2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2279-5181 |
| Compound Name: | methyl 2-[2-(2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C22 H27 N O4 S |
| Smiles: | CC(C)(C)c1ccccc1OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.112 |
| logD: | 2.9302 |
| logSw: | -5.0078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.591 |
| InChI Key: | VWRJTJLIFAOXIW-UHFFFAOYSA-N |