ethyl 2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-7340 |
| Compound Name: | ethyl 2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.53 |
| Molecular Formula: | C23 H27 N O5 S |
| Smiles: | CCOC(CCC(Nc1c(C(=O)OCC)c2CCC(Cc2s1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5051 |
| logD: | 2.1298 |
| logSw: | -4.3247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.744 |
| InChI Key: | ONJBQSAYYJAURP-MRXNPFEDSA-N |