1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8010-7411 |
| Compound Name: | 1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 323.32 |
| Molecular Formula: | C13 H13 N3 O5 S |
| Smiles: | CC(C)(C)N1C(C(=C\c2ccc([N+]([O-])=O)s2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8236 |
| logD: | 1.8077 |
| logSw: | -2.4871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.109 |
| InChI Key: | IIQYJSUPWQNWSP-UHFFFAOYSA-N |