ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K413-0346 |
| Compound Name: | ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C23 H26 N2 O3 S2 |
| Smiles: | CCn1cc(c2ccccc12)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8337 |
| logD: | 2.6518 |
| logSw: | -4.611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.313 |
| InChI Key: | YOIPNZZVXORBEM-UHFFFAOYSA-N |