(7E)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-2-(4-phenyl-1,3-thiazol-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole
Chemical Structure Depiction of
(7E)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-2-(4-phenyl-1,3-thiazol-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole
(7E)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-2-(4-phenyl-1,3-thiazol-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole
Compound characteristics
| Compound ID: | 0833-0141 |
| Compound Name: | (7E)-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-2-(4-phenyl-1,3-thiazol-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C29 H23 N5 O4 S |
| Smiles: | C1CC2C(c3cccc(c3)[N+]([O-])=O)N(c3nc(cs3)c3ccccc3)N=C2C(\C1)=C\c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2678 |
| logD: | 8.2678 |
| logSw: | -6.2733 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.665 |
| InChI Key: | XLNNSJNPQWTFHX-UHFFFAOYSA-N |