1-(3-methylphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-methylphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-methylphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-7455 |
| Compound Name: | 1-(3-methylphenyl)-5-[(1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2ccc[nH]2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.481 |
| logD: | 2.3825 |
| logSw: | -2.8546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.79 |
| InChI Key: | BBWAMUBJFBUCLB-UHFFFAOYSA-N |