5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 1887-0104 |
| Compound Name: | 5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.398 |
| logD: | 2.0229 |
| logSw: | -3.0596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.033 |
| InChI Key: | MFDCLLYSTDRXNM-UHFFFAOYSA-N |