ethyl 4-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K413-0328 |
| Compound Name: | ethyl 4-{2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCn1cc(c2ccccc12)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3433 |
| logD: | 4.3432 |
| logSw: | -3.9799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.598 |
| InChI Key: | CIJKLVZDOUVFBF-UHFFFAOYSA-N |