N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 7472-0017 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2c(nc3ccccc3n2)N2CCCC2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.648 |
| logD: | 3.648 |
| logSw: | -3.9251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.357 |
| InChI Key: | UCABZKBWGVOSTC-UHFFFAOYSA-N |