N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V020-1259 |
| Compound Name: | N-(4-{3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | Cc1cc(C)cc(CN2CCCN(C2=O)c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8753 |
| logD: | 5.8734 |
| logSw: | -5.4105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.969 |
| InChI Key: | IPTGQFWRNAZSCK-UHFFFAOYSA-N |