5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-1745 |
| Compound Name: | 5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C22 H21 Br N2 O4 S |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=S)=O)cc(c1OCC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4942 |
| logD: | 4.1192 |
| logSw: | -4.2435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.736 |
| InChI Key: | UXXXFCGEVJYIHC-UHFFFAOYSA-N |