N-[4-(dimethylamino)phenyl]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-(dimethylamino)phenyl]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0697 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7001 |
| logD: | 4.6916 |
| logSw: | -4.4634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.048 |
| InChI Key: | UOQQEQGAJLLVOB-UHFFFAOYSA-N |