N-(4-{[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide
N-(4-{[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D430-0513 |
| Compound Name: | N-(4-{[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C25 H22 N6 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc(Nc2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6115 |
| logD: | 4.8319 |
| logSw: | -5.4666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.854 |
| InChI Key: | QDHLHHFNAIYTRR-UHFFFAOYSA-N |