2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2374 |
| Compound Name: | 2-(3,5-dimethylanilino)-2-oxoethyl ({1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C26 H24 F N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8492 |
| logD: | 5.8227 |
| logSw: | -5.4199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | WQUJTGPLFZVHCS-UHFFFAOYSA-N |