2-(3,4-dimethylphenoxy)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3,4-dimethylphenoxy)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2844 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(=O)Oc2ccc(C)c(C)c2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6637 |
| logD: | 6.6372 |
| logSw: | -5.6048 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.066 |
| InChI Key: | ZOGQRGZZGXYIML-UHFFFAOYSA-N |