ethyl 2-[3-(azepan-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(azepan-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(azepan-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0320 |
| Compound Name: | ethyl 2-[3-(azepan-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 378.53 |
| Molecular Formula: | C20 H30 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8261 |
| logD: | 3.8261 |
| logSw: | -3.9977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.898 |
| InChI Key: | BQAPWXNJRCIRTB-UHFFFAOYSA-N |