N-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-3-nitrobenzamide
N-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | D419-2400 |
| Compound Name: | N-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C25 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1cc(c2ccc(C)cc2)nc(NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8442 |
| logD: | 6.8389 |
| logSw: | -5.7252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.873 |
| InChI Key: | DNFHTUOXCWPTRG-UHFFFAOYSA-N |