5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-7470 |
| Compound Name: | 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 413.41 |
| Molecular Formula: | C19 H15 N3 O6 S |
| Smiles: | Cc1ccccc1N1C(C(=C\c2cc(c(c(c2)OC)O)[N+]([O-])=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7851 |
| logD: | 1.7112 |
| logSw: | -3.3175 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.118 |
| InChI Key: | RIUTVPMKUXSEDV-UHFFFAOYSA-N |