(1-ethyl-4-nitro-1H-pyrazol-3-yl){(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Chemical Structure Depiction of
(1-ethyl-4-nitro-1H-pyrazol-3-yl){(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
(1-ethyl-4-nitro-1H-pyrazol-3-yl){(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Compound characteristics
| Compound ID: | Y501-7383 |
| Compound Name: | (1-ethyl-4-nitro-1H-pyrazol-3-yl){(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | CCn1cc(c(C(N2C(C3CCC/C(=C\c4ccc(C)cc4)C3=N2)c2ccc(C)cc2)=O)n1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9818 |
| logD: | 5.9818 |
| logSw: | -5.4267 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.678 |
| InChI Key: | JUQKZCJFATZVTA-UHFFFAOYSA-N |