5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2237-1558 |
| Compound Name: | 5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 359.31 |
| Molecular Formula: | C15 H9 N3 O6 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(c2cc(ccc2O)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2042 |
| logD: | 1.9656 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.125 |
| InChI Key: | HHZZFPFELRVODB-UHFFFAOYSA-N |