2-(3,4-dimethoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(3,4-dimethoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-(3,4-dimethoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0472 |
| Compound Name: | 2-(3,4-dimethoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.662 |
| logD: | 4.6355 |
| logSw: | -4.5132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.422 |
| InChI Key: | VDSOLKWYYWWNPT-UHFFFAOYSA-N |