methyl 4-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
methyl 4-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | G534-2948 |
| Compound Name: | methyl 4-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C24 H20 F N3 O3 S |
| Smiles: | COC(c1ccc(Cn2c3ccccc3nc2SCC(Nc2ccc(cc2)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3153 |
| logD: | 5.3151 |
| logSw: | -5.3141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.801 |
| InChI Key: | OIMMOPHMMFEXNG-UHFFFAOYSA-N |