2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 8012-0511 |
| Compound Name: | 2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C23 H17 F N4 O2 S |
| Smiles: | CC(n1cc(/C=C2/C(n3c4cc(C)c(C)cc4nc3S2)=O)c(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2415 |
| logD: | 4.2415 |
| logSw: | -4.3427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.021 |
| InChI Key: | KLXUJSHYJJEBIU-UHFFFAOYSA-N |