1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-4456 |
| Compound Name: | 1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 357.34 |
| Molecular Formula: | C16 H11 N3 O5 S |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2ccc([N+]([O-])=O)s2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7075 |
| logD: | 2.5964 |
| logSw: | -3.21 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.142 |
| InChI Key: | XKIBKZPVRBDVRU-UHFFFAOYSA-N |