2-(3-chloro-4-methoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(3-chloro-4-methoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-(3-chloro-4-methoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0470 |
| Compound Name: | 2-(3-chloro-4-methoxyanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6378 |
| logD: | 5.6109 |
| logSw: | -5.9152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.791 |
| InChI Key: | YETDTSXFGXDBBL-UHFFFAOYSA-N |