2-(3,5-dimethylphenoxy)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3,5-dimethylphenoxy)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3,5-dimethylphenoxy)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2681 |
| Compound Name: | 2-(3,5-dimethylphenoxy)-2-oxoethyl ({1-[(2-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OC(COC(CSc1nc2ccccc2n1Cc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6057 |
| logD: | 6.4743 |
| logSw: | -5.5789 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.066 |
| InChI Key: | CLEJAALHNUPCAI-UHFFFAOYSA-N |