5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-1778 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-bromophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 431.26 |
| Molecular Formula: | C18 H11 Br N2 O4 S |
| Smiles: | C1Oc2ccc(\C=C3/C(NC(N(C3=O)c3ccc(cc3)[Br])=S)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5477 |
| logD: | 3.1726 |
| logSw: | -3.8547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.344 |
| InChI Key: | MNKPVBQBPSHEPR-UHFFFAOYSA-N |