ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K413-0180 |
| Compound Name: | ethyl 2-{2-[(1-methyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1cn(C)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5581 |
| logD: | 2.3763 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.144 |
| InChI Key: | PBDNUKBZJVXRGJ-UHFFFAOYSA-N |