6-benzyl-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-benzyl-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-benzyl-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 5629-2046 |
| Compound Name: | 6-benzyl-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 564.58 |
| Molecular Formula: | C29 H20 N6 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(c1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2936 |
| logD: | 4.2936 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 105.896 |
| InChI Key: | HVYAFRFEFZSJTB-UHFFFAOYSA-N |