5-[(2-methylphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2-methylphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2-methylphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-0057 |
| Compound Name: | 5-[(2-methylphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | Cc1ccccc1\C=C1/C(NC(N(C1=O)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9778 |
| logD: | 2.877 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.228 |
| InChI Key: | MLQJORHOABJONL-UHFFFAOYSA-N |