1-(3-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0996 |
| Compound Name: | 1-(3-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2324 |
| logD: | 3.701 |
| logSw: | -4.3717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | PAGLNMVFJDQKIF-UHFFFAOYSA-N |