ethyl 2-(3,3-dimethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,3-dimethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3,3-dimethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-7339 |
| Compound Name: | ethyl 2-(3,3-dimethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C23 H29 N O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CC(C)(C)C)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9503 |
| logD: | 3.257 |
| logSw: | -5.5977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | YEWDANWTGFSORO-MRXNPFEDSA-N |