ethyl 2-{2-[(1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K413-0516 |
| Compound Name: | ethyl 2-{2-[(1H-indol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | [H]n1cc(c2ccccc12)SCC(Nc1c(C(=O)OCC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.216 |
| logD: | 3.0341 |
| logSw: | -5.2708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.787 |
| InChI Key: | UAMBMKGOBUYWCL-UHFFFAOYSA-N |