1-(3-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8010-4631 |
| Compound Name: | 1-(3-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 427.39 |
| Molecular Formula: | C19 H13 N3 O7 S |
| Smiles: | COc1cccc(c1)N1C(C(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5529 |
| logD: | 2.2495 |
| logSw: | -3.0706 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.968 |
| InChI Key: | VGZZJVJZTWQBMZ-UHFFFAOYSA-N |