N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-nitrobenzamide
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V014-4215 |
| Compound Name: | N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C24 H22 N4 O4 |
| Smiles: | C1CN(Cc2ccccc2)C(N(C1)c1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1737 |
| logD: | 4.1735 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.27 |
| InChI Key: | MIHFZTFHDVCCSX-UHFFFAOYSA-N |