5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-8356 |
| Compound Name: | 5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C22 H21 Br N2 O4 S |
| Smiles: | CCOc1cc(c(cc1\C=C1/C(NC(N(C1=O)c1ccccc1C)=S)=O)[Br])OCC |
| Stereo: | ACHIRAL |
| logP: | 4.5674 |
| logD: | 4.0422 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.348 |
| InChI Key: | KTEPEGCXCOPYRU-UHFFFAOYSA-N |