1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0656 |
| Compound Name: | 1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 391.24 |
| Molecular Formula: | C16 H11 Br N2 O3 S |
| Smiles: | Cc1ccc(/C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3301 |
| logD: | 2.2009 |
| logSw: | -3.637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.491 |
| InChI Key: | XWUQIQNKSGGIPL-UHFFFAOYSA-N |