(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Chemical Structure Depiction of
(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Compound characteristics
| Compound ID: | 0833-0124 |
| Compound Name: | (7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | C1CC2C(c3ccc(cc3)[N+]([O-])=O)N(C(N)=S)N=C2C(\C1)=C\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9074 |
| logD: | 4.9074 |
| logSw: | -4.9469 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.897 |
| InChI Key: | MWRKTQNPVMHMCZ-UHFFFAOYSA-N |