ethyl 6-ethyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6950 |
| Compound Name: | ethyl 6-ethyl-2-(3-phenylpropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CCc3ccccc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4682 |
| logD: | 2.7362 |
| logSw: | -5.617 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | NESSWVWVNUKTKX-OAHLLOKOSA-N |