N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-methyl-3-nitrobenzamide
N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V005-4326 |
| Compound Name: | N-(2-{3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C28 H30 N4 O6 |
| Smiles: | Cc1ccc(c(c1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)N1CCCN(Cc2cc(cc(c2)OC)OC)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.1174 |
| logD: | 5.0653 |
| logSw: | -4.9896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.058 |
| InChI Key: | FOXVTSZAYQSXBC-UHFFFAOYSA-N |