5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 1934-0101 |
| Compound Name: | 5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 377.76 |
| Molecular Formula: | C15 H8 Cl N3 O5 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(c2ccc(c(c2)[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2877 |
| logD: | 2.8501 |
| logSw: | -3.8835 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.276 |
| InChI Key: | NBLJFEUYKNNVGZ-UHFFFAOYSA-N |