1-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-4422 |
| Compound Name: | 1-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 325.39 |
| Molecular Formula: | C17 H15 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cccn2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7049 |
| logD: | 2.6064 |
| logSw: | -3.208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.126 |
| InChI Key: | ZVPPWSKNOPHNQR-UHFFFAOYSA-N |