N-{(3,4-dimethylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{(3,4-dimethylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
N-{(3,4-dimethylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3966-3252 |
| Compound Name: | N-{(3,4-dimethylanilino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H22 N6 O4 S |
| Smiles: | Cc1ccc(cc1C)N\C(Nc1nc(C)cc(C)n1)=N/S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4774 |
| logD: | 4.4772 |
| logSw: | -4.3418 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.531 |
| InChI Key: | DOESSPXCLDBHHJ-UHFFFAOYSA-N |