2-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-8-methyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-8-methyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-8-methyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 3175-0741 |
| Compound Name: | 2-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-8-methyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C22 H16 N4 O2 S |
| Smiles: | CC(n1cc(/C=C2/C(n3c4cccc(C)c4nc3S2)=O)c(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3592 |
| logD: | 3.3592 |
| logSw: | -3.4858 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.791 |
| InChI Key: | HEGVRLINGHXCRR-UHFFFAOYSA-N |