1-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-4396 |
| Compound Name: | 1-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | CCN1C(C(=C\c2cccn2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3885 |
| logD: | 1.3679 |
| logSw: | -2.2873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.734 |
| InChI Key: | OTCKMVDGIBNRAU-UHFFFAOYSA-N |