ethyl 2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1683-0560 |
| Compound Name: | ethyl 2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.66 |
| Molecular Formula: | C27 H37 N O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COc1ccc(cc1)C(C)(C)CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2854 |
| logD: | 5.1035 |
| logSw: | -5.7959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.084 |
| InChI Key: | KTDPRHKJFFZUJE-UHFFFAOYSA-N |