2-(3-chloro-2-methylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-(3-chloro-2-methylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0453 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9345 |
| logD: | 5.9077 |
| logSw: | -5.9254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.463 |
| InChI Key: | INEOCJPKKSPFPX-UHFFFAOYSA-N |