6-benzyl-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-benzyl-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-benzyl-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 5629-1106 |
| Compound Name: | 6-benzyl-2-[(3-nitrophenyl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C19 H12 N4 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9207 |
| logD: | 2.9207 |
| logSw: | -3.4625 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.933 |
| InChI Key: | RUYMXFFGXGRVFQ-UHFFFAOYSA-N |