5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C508-0042 |
| Compound Name: | 5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 387.37 |
| Molecular Formula: | C17 H13 N3 O6 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(C=C2C(NC(NC2=O)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4697 |
| logD: | 3.0321 |
| logSw: | -3.9741 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.4 |
| InChI Key: | CZXNDRNPVZAISR-UHFFFAOYSA-N |