2-(2-ethylanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-(2-ethylanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
2-(2-ethylanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D425-1728 |
| Compound Name: | 2-(2-ethylanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CCc1ccccc1NC(COC(CSc1nc2ccccc2n1CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3554 |
| logD: | 5.3526 |
| logSw: | -5.2404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.735 |
| InChI Key: | ACZTXDJKOOBZGI-UHFFFAOYSA-N |