2-(4-methoxyanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-(4-methoxyanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-(4-methoxyanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2011 |
| Compound Name: | 2-(4-methoxyanilino)-2-oxoethyl ({1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1)NC(COC(CSc1nc2ccccc2n1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7042 |
| logD: | 5.6777 |
| logSw: | -5.9452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.705 |
| InChI Key: | GXKTXBYSTUDBAI-UHFFFAOYSA-N |