1-(4-bromophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3699-0533 |
| Compound Name: | 1-(4-bromophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C21 H14 Br N3 O2 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=S)=O)/c1cccn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3384 |
| logD: | 4.0144 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.758 |
| InChI Key: | QPIYHPLJAJBGIG-UHFFFAOYSA-N |