N-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-nitrobenzamide
N-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V020-2919 |
| Compound Name: | N-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C25 H24 N4 O4 |
| Smiles: | Cc1ccc(CN2CCCN(C2=O)c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.808 |
| logD: | 4.8073 |
| logSw: | -4.5682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.27 |
| InChI Key: | SFIXNMRWCMWEON-UHFFFAOYSA-N |