(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 |