5,5'-[(3-nitrophenyl)methylene]bis(2-sulfanylidene-1,3-diazinane-4,6-dione)
Chemical Structure Depiction of
5,5'-[(3-nitrophenyl)methylene]bis(2-sulfanylidene-1,3-diazinane-4,6-dione)
5,5'-[(3-nitrophenyl)methylene]bis(2-sulfanylidene-1,3-diazinane-4,6-dione)
Compound characteristics
| Compound ID: | 8009-4329 |
| Compound Name: | 5,5'-[(3-nitrophenyl)methylene]bis(2-sulfanylidene-1,3-diazinane-4,6-dione) |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C15 H11 N5 O6 S2 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(C1C(NC(NC1=O)=S)=O)C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2689 |
| logD: | -7.6003 |
| logSw: | -2.4015 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 132.395 |
| InChI Key: | MHRIFQKMFPOENH-UHFFFAOYSA-N |