ethyl 2-[2-(acetyloxy)propanamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(acetyloxy)propanamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(acetyloxy)propanamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6905 |
| Compound Name: | ethyl 2-[2-(acetyloxy)propanamido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 409.54 |
| Molecular Formula: | C21 H31 N O5 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OCC)c(NC(C(C)OC(C)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2834 |
| logD: | 1.9337 |
| logSw: | -4.2077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.591 |
| InChI Key: | ZTOHKYRQRSTAHY-NBFOIZRFSA-N |