2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 5629-2069 |
| Compound Name: | 2-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 520.53 |
| Molecular Formula: | C27 H16 N6 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5009 |
| logD: | 4.5009 |
| logSw: | -4.5896 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.662 |
| InChI Key: | OTAXEGWGCQBMSL-UHFFFAOYSA-N |