ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K413-0181 |
| Compound Name: | ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C23 H26 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1cn(C)c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2148 |
| logD: | 2.782 |
| logSw: | -5.1872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.358 |
| InChI Key: | QPYRCUXPTZSFTA-AWEZNQCLSA-N |