N-[4-(dimethylamino)phenyl]-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
N-[4-(dimethylamino)phenyl]-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K695-0054 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSc1c(Cc2cccc(c2)[N+]([O-])=O)nc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2358 |
| logD: | 5.2272 |
| logSw: | -5.0922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.361 |
| InChI Key: | UDMIQDNSXWOOJI-UHFFFAOYSA-N |