propan-2-yl 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-9420 |
| Compound Name: | propan-2-yl 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C20 H23 N O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0732 |
| logD: | 1.338 |
| logSw: | -4.7936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.477 |
| InChI Key: | SDGOMWDQSJKKJI-UHFFFAOYSA-N |