ethyl 5-(4,4-dimethylpentan-2-yl)-2-(6-methoxy-6-oxohexanamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4,4-dimethylpentan-2-yl)-2-(6-methoxy-6-oxohexanamido)thiophene-3-carboxylate
ethyl 5-(4,4-dimethylpentan-2-yl)-2-(6-methoxy-6-oxohexanamido)thiophene-3-carboxylate
Compound characteristics
Compound ID: | V003-0467 |
Compound Name: | ethyl 5-(4,4-dimethylpentan-2-yl)-2-(6-methoxy-6-oxohexanamido)thiophene-3-carboxylate |
Molecular Weight: | 411.56 |
Molecular Formula: | C21 H33 N O5 S |
Smiles: | CCOC(c1cc(C(C)CC(C)(C)C)sc1NC(CCCCC(=O)OC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3642 |
logD: | 2.2986 |
logSw: | -4.2513 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.515 |
InChI Key: | SVZQCLAZLZJVDV-AWEZNQCLSA-N |