2-[2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F711-0580 |
| Compound Name: | 2-[2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | Cc1ccc(CNC(Cn2c(CO)cnc2SCC(N2CCCc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0545 |
| logD: | 3.053 |
| logSw: | -3.1681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.887 |
| InChI Key: | VJYWGIRYTUMBIW-UHFFFAOYSA-N |