5-[(4-bromophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-bromophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-bromophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 4058-0077 |
Compound Name: | 5-[(4-bromophenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 417.28 |
Molecular Formula: | C18 H13 Br N2 O3 S |
Smiles: | COc1ccc(cc1)N1C(C(=C/c2ccc(cc2)[Br])\C(NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6333 |
logD: | 3.2582 |
logSw: | -4.065 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.772 |
InChI Key: | UWALREYEVSXYOK-UHFFFAOYSA-N |