1-[(4-methoxyphenyl)methyl]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
1-[(4-methoxyphenyl)methyl]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-1257 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 425.35 |
| Molecular Formula: | C20 H15 N3 O8 |
| Smiles: | COc1ccc(CN2C(C(=C\c3cc4c(cc3[N+]([O-])=O)OCO4)\C(NC2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.462 |
| logD: | 2.4241 |
| logSw: | -3.0734 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.742 |
| InChI Key: | RPVQICGYZWBTJY-UHFFFAOYSA-N |