2-(3,4-dimethoxyanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-(3,4-dimethoxyanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
2-(3,4-dimethoxyanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D425-1732 |
| Compound Name: | 2-(3,4-dimethoxyanilino)-2-oxoethyl {[1-(2-methylpropyl)-1H-benzimidazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC(C)Cn1c2ccccc2nc1SCC(=O)OCC(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3908 |
| logD: | 4.3879 |
| logSw: | -4.3262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.693 |
| InChI Key: | GHFBJHHLMCALGU-UHFFFAOYSA-N |