1-(3-ethoxyphenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-ethoxyphenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-ethoxyphenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0138 |
| Compound Name: | 1-(3-ethoxyphenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2ccc(cc2C)OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8458 |
| logD: | 3.7928 |
| logSw: | -4.124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.896 |
| InChI Key: | NBTFWIGCQZORAG-UHFFFAOYSA-N |