2-(3-methylanilino)-2-oxoethyl ({1-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(3-methylanilino)-2-oxoethyl ({1-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(3-methylanilino)-2-oxoethyl ({1-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-1823 |
| Compound Name: | 2-(3-methylanilino)-2-oxoethyl ({1-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(COC(CSc1nc2ccccc2n1Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1086 |
| logD: | 6.0821 |
| logSw: | -6.0591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | LUAJDZAVQFXTIY-UHFFFAOYSA-N |