1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-1759 |
| Compound Name: | 1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 478.28 |
| Molecular Formula: | C18 H12 Br N3 O6 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1909 |
| logD: | 2.117 |
| logSw: | -3.5892 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.419 |
| InChI Key: | NMTZIKPFVVLUNL-UHFFFAOYSA-N |