2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | Y070-0815 |
| Compound Name: | 2-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C27 H20 N4 O S |
| Smiles: | Cc1ccc(C)c(c1)c1c(/C=C2/C(n3c4ccccc4nc3S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0563 |
| logD: | 6.0563 |
| logSw: | -5.4221 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.085 |
| InChI Key: | NVGZHEJBLNKIJJ-UHFFFAOYSA-N |