2-(3,4-dimethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3,4-dimethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2234 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 521.6 |
| Molecular Formula: | C29 H23 N5 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7332 |
| logD: | 5.7332 |
| logSw: | -5.4705 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.089 |
| InChI Key: | XMKZZMKQELHHQK-UHFFFAOYSA-N |