ethyl 2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0111 |
| Compound Name: | ethyl 2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 281.37 |
| Molecular Formula: | C14 H19 N O3 S |
| Smiles: | CCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9907 |
| logD: | 0.8615 |
| logSw: | -3.2282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | XYWZPXQZUYYQIA-UHFFFAOYSA-N |