1-ethyl-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-ethyl-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-ethyl-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-7457 |
| Compound Name: | 1-ethyl-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 249.29 |
| Molecular Formula: | C11 H11 N3 O2 S |
| Smiles: | CCN1C(C(=C\c2ccc[nH]2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0896 |
| logD: | 0.9909 |
| logSw: | -2.2516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.398 |
| InChI Key: | MYACENXXIJVDCZ-UHFFFAOYSA-N |