(7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole
Chemical Structure Depiction of
(7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole
(7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole
Compound characteristics
| Compound ID: | 0833-0140 |
| Compound Name: | (7E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole |
| Molecular Weight: | 616.49 |
| Molecular Formula: | C29 H22 Br N5 O4 S |
| Smiles: | C1CC2C(c3cccc(c3)[N+]([O-])=O)N(c3nc(cs3)c3ccc(cc3)[Br])N=C2C(\C1)=C\c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.2068 |
| logD: | 9.2068 |
| logSw: | -6.3154 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.665 |
| InChI Key: | OLXHDERNBBFXMA-UHFFFAOYSA-N |