ethyl 6-tert-butyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-2649 |
| Compound Name: | ethyl 6-tert-butyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C25 H33 N O3 S |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)C(C)(C)C)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6713 |
| logD: | 3.474 |
| logSw: | -5.7656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.798 |
| InChI Key: | XKCNTWPKKDJODM-UHFFFAOYSA-N |