5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8006-9200 |
| Compound Name: | 5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 343.32 |
| Molecular Formula: | C15 H9 N3 O5 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(c2ccccc2[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.6577 |
| logD: | 2.2201 |
| logSw: | -3.6653 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.276 |
| InChI Key: | CBSPOFZVCNWYHL-UHFFFAOYSA-N |