N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C156-0059 |
| Compound Name: | N-{2-[(1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | COc1cc(/C=C/C(NCCSc2c[nH]c3ccccc23)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8242 |
| logD: | 3.8242 |
| logSw: | -4.1648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.129 |
| InChI Key: | VJKMZQNQZBDYSZ-UHFFFAOYSA-N |