6-benzyl-2-{[3-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | 5629-2103 |
| Compound Name: | 6-benzyl-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C29 H21 N5 O2 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1319 |
| logD: | 5.1319 |
| logSw: | -4.9843 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.184 |
| InChI Key: | YPGIEHCUJJWYGH-UHFFFAOYSA-N |