diethyl 2-[2-(azepan-1-yl)acetamido]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[2-(azepan-1-yl)acetamido]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
diethyl 2-[2-(azepan-1-yl)acetamido]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
Compound characteristics
| Compound ID: | 2500-0519 |
| Compound Name: | diethyl 2-[2-(azepan-1-yl)acetamido]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C21 H31 N3 O5 S |
| Smiles: | CCOC(c1c2CCN(Cc2sc1NC(CN1CCCCCC1)=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.702 |
| logD: | 1.1487 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.634 |
| InChI Key: | UUIGRVPGCRWLGR-UHFFFAOYSA-N |