2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D425-2825 |
| Compound Name: | 2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl ({1-[(3-methylphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(NCc2cccc(c2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3944 |
| logD: | 5.3679 |
| logSw: | -5.3203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.027 |
| InChI Key: | QRFFGQPEWBNUQE-UHFFFAOYSA-N |