ethyl 2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-8806 |
| Compound Name: | ethyl 2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 365.53 |
| Molecular Formula: | C20 H31 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CC(C)CC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.382 |
| logD: | 2.8633 |
| logSw: | -5.2819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | RPUPEPOKFFKDST-CYBMUJFWSA-N |