1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 0986-0149 |
Compound Name: | 1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 381.34 |
Molecular Formula: | C19 H15 N3 O6 |
Smiles: | COc1ccc(/C=C2/C(NC(N(Cc3ccccc3)C2=O)=O)=O)cc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.3954 |
logD: | 2.3695 |
logSw: | -3.0286 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.713 |
InChI Key: | DACLZVNBOMWKQD-UHFFFAOYSA-N |