5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | V013-6792 |
| Compound Name: | 5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-3-(2-methyl-4-nitrophenyl)-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H17 N3 O6 S |
| Smiles: | Cc1cc(ccc1N1C(/C(=C\c2cc(c3c(c2)OCO3)OC)N(C)C1=S)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6204 |
| logD: | 3.6204 |
| logSw: | -4.0166 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.812 |
| InChI Key: | INRPWTOTFCDVLI-UHFFFAOYSA-N |