1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 0638-0079 |
Compound Name: | 1-benzyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 394.39 |
Molecular Formula: | C20 H18 N4 O5 |
Smiles: | CN(C)c1ccc(/C=C2/C(NC(N(Cc3ccccc3)C2=O)=O)=O)cc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.8816 |
logD: | 2.8557 |
logSw: | -3.5441 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.587 |
InChI Key: | KQPAZRGNAIXQOA-UHFFFAOYSA-N |