5-[(3-chloro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-chloro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-chloro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3681-1128 |
| Compound Name: | 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 296.73 |
| Molecular Formula: | C12 H9 Cl N2 O3 S |
| Smiles: | COc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4182 |
| logD: | 1.9926 |
| logSw: | -3.3277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.256 |
| InChI Key: | AQGPREGLAMOAAP-UHFFFAOYSA-N |