2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | Y070-1221 |
| Compound Name: | 2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C29 H22 N4 O2 S |
| Smiles: | Cc1cc(ccc1OCC=C)c1c(/C=C2/C(n3c4ccccc4nc3S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.5527 |
| logD: | 6.5527 |
| logSw: | -5.7077 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.59 |
| InChI Key: | GJTKOBSJEJQQBT-UHFFFAOYSA-N |