5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2144-0860 |
| Compound Name: | 5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | [H]N1C(C(=Cc2ccc(c3ccc(c(C)c3C)[N+]([O-])=O)o2)C(N([H])C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.734 |
| logD: | 3.2964 |
| logSw: | -4.1644 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.276 |
| InChI Key: | BLGILWNTJPFFEE-UHFFFAOYSA-N |