1-ethyl-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-ethyl-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-ethyl-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-7443 |
| Compound Name: | 1-ethyl-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C11 H9 N3 O4 S2 |
| Smiles: | CCN1C(C(=C\c2ccc([N+]([O-])=O)s2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7437 |
| logD: | 1.5986 |
| logSw: | -2.4483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.587 |
| InChI Key: | FVQLBIHAFGXEJD-UHFFFAOYSA-N |