2-{[3-(4-fluorophenyl)-1-propanoyl-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-1-propanoyl-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[3-(4-fluorophenyl)-1-propanoyl-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 8012-4607 |
| Compound Name: | 2-{[3-(4-fluorophenyl)-1-propanoyl-1H-pyrazol-4-yl]methylidene}-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C24 H19 F N4 O2 S |
| Smiles: | CCC(n1cc(\C=C2/C(n3c4cc(C)c(C)cc4nc3S2)=O)c(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7688 |
| logD: | 4.7688 |
| logSw: | -4.5715 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.025 |
| InChI Key: | SFSQMRVEWGJMGC-UHFFFAOYSA-N |