2-(3-methoxyanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-methoxyanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-methoxyanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2730 |
| Compound Name: | 2-(3-methoxyanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(Nc2cccc(c2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8402 |
| logD: | 5.8136 |
| logSw: | -5.4262 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.705 |
| InChI Key: | YODXQBSNCRYHNZ-UHFFFAOYSA-N |