5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C508-0041 |
| Compound Name: | 5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 357.34 |
| Molecular Formula: | C16 H11 N3 O5 S |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(NC(NC2=O)=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4039 |
| logD: | 2.9663 |
| logSw: | -3.877 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.577 |
| InChI Key: | UXFDGLFBMZOLOG-UHFFFAOYSA-N |