2-(4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2724 |
| Compound Name: | 2-(4-methylanilino)-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)NC(COC(CSc1nc2ccccc2n1Cc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1971 |
| logD: | 6.1706 |
| logSw: | -5.4203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | PFSJEKNBICMVKO-UHFFFAOYSA-N |