ethyl 4-{2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K413-0393 |
| Compound Name: | ethyl 4-{2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CCCn1cc(c2ccccc12)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8561 |
| logD: | 4.856 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.852 |
| InChI Key: | RSAOMMUCDXZAOK-UHFFFAOYSA-N |