5-({2-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({2-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({2-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3202-0402 |
| Compound Name: | 5-({2-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 413.41 |
| Molecular Formula: | C19 H15 N3 O6 S |
| Smiles: | C(COc1ccccc1C=C1C(NC(NC1=O)=S)=O)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5524 |
| logD: | 3.2907 |
| logSw: | -3.9094 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.658 |
| InChI Key: | GVPSAYCJUWMKSM-UHFFFAOYSA-N |