5-{[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2151-0422 |
| Compound Name: | 5-{[5-(3-methyl-4-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: | Cc1cc(ccc1[N+]([O-])=O)c1ccc(C=C2C(NC(NC2=O)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4909 |
| logD: | 3.0533 |
| logSw: | -3.993 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.276 |
| InChI Key: | BFGVJCWGIITMOV-UHFFFAOYSA-N |