2-(3-fluoroanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-fluoroanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-fluoroanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2816 |
| Compound Name: | 2-(3-fluoroanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C25 H22 F N3 O3 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(Nc2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9271 |
| logD: | 5.9005 |
| logSw: | -5.4716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | SHKDVVCCDJLMNZ-UHFFFAOYSA-N |