ethyl 2-[2-(azepan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(azepan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(azepan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1982-0330 |
| Compound Name: | ethyl 2-[2-(azepan-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C19 H28 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2883 |
| logD: | 2.0208 |
| logSw: | -4.0198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.92 |
| InChI Key: | CUQSHNPNXXYUGJ-UHFFFAOYSA-N |