5-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0081 |
| Compound Name: | 5-({3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 585.9 |
| Molecular Formula: | C27 H22 Br Cl N2 O4 S |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=S)=O)cc(c1OCc1ccccc1[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.085 |
| logD: | 5.71 |
| logSw: | -6.0324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.839 |
| InChI Key: | KHOKGJRTPOZMMD-UHFFFAOYSA-N |