ethyl 2-(4-tert-butylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-tert-butylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-tert-butylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V013-0036 |
| Compound Name: | ethyl 2-(4-tert-butylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C22 H27 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.934 |
| logD: | 2.1988 |
| logSw: | -5.552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.798 |
| InChI Key: | RKKNAVNWHLXAQH-UHFFFAOYSA-N |