1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | 6049-0012 |
| Compound Name: | 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 589.61 |
| Molecular Formula: | C32 H27 N7 O5 |
| Smiles: | C1CC2C(c3ccccc3)N(C(CN3C4C(C(N(C4=O)c4ccc(cc4)[N+]([O-])=O)=O)N=N3)=O)N=C2C(\C1)=C\c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3971 |
| logD: | 4.3971 |
| logSw: | -4.582 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 115.809 |
| InChI Key: | FIZYTWPEXXGMMQ-UHFFFAOYSA-N |