5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0137 |
| Compound Name: | 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2ccc(c(c2)OCC)O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0689 |
| logD: | 2.8433 |
| logSw: | -3.2737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.11 |
| InChI Key: | PUSXFHHDMRASKV-UHFFFAOYSA-N |