5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-1003 |
| Compound Name: | 5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 414.35 |
| Molecular Formula: | C17 H10 N4 O7 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0358 |
| logD: | 2.6102 |
| logSw: | -3.6928 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.922 |
| InChI Key: | PXSABYMYBADMIU-UHFFFAOYSA-N |