5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8007-4942 |
| Compound Name: | 5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 473.46 |
| Molecular Formula: | C24 H15 N3 O6 S |
| Smiles: | C1Oc2cc(C=C3C(N(C(N(C3=O)c3ccccc3)=S)c3ccccc3)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2796 |
| logD: | 3.2796 |
| logSw: | -3.6327 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.717 |
| InChI Key: | RKQPRGFMVYBWFC-UHFFFAOYSA-N |