N-(2-methoxy-5-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
N-(2-methoxy-5-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K788-9889 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Smiles: | COc1ccc(cc1NC(CSCCc1ccccn1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4677 |
| logD: | 2.3463 |
| logSw: | -2.8851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.973 |
| InChI Key: | XWIFJOZPDNDARE-UHFFFAOYSA-N |