5-[(5-nitrothiophen-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(5-nitrothiophen-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
5-[(5-nitrothiophen-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-7448 |
| Compound Name: | 5-[(5-nitrothiophen-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 343.32 |
| Molecular Formula: | C15 H9 N3 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=O)=O)/c1ccc([N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0875 |
| logD: | 1.6847 |
| logSw: | -2.8019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.142 |
| InChI Key: | YUSHBRYZJAWKNT-UHFFFAOYSA-N |