5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(2-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(2-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(2-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-8305 |
| Compound Name: | 5-[(3-chloro-4-methoxyphenyl)methylidene]-1-(2-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C20 H17 Cl N2 O3 S |
| Smiles: | CCc1ccccc1N1C(C(=C/c2ccc(c(c2)[Cl])OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0566 |
| logD: | 3.2981 |
| logSw: | -4.501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.558 |
| InChI Key: | LDKKWOYFTNNKKR-UHFFFAOYSA-N |