5-[(4-methoxy-3-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-methoxy-3-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-methoxy-3-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 1102-0077 |
| Compound Name: | 5-[(4-methoxy-3-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C18 H13 N3 O5 S |
| Smiles: | COc1ccc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1832 |
| logD: | 1.8081 |
| logSw: | -2.9637 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.939 |
| InChI Key: | SEOCSBUZYDXGBX-UHFFFAOYSA-N |