2-{[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | F711-0729 |
Compound Name: | 2-{[1-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 462.93 |
Molecular Formula: | C21 H20 Cl F N4 O3 S |
Smiles: | C(c1ccc(cc1)[Cl])NC(Cn1c(CO)cnc1SCC(Nc1ccccc1F)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5719 |
logD: | 2.5715 |
logSw: | -3.098 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.282 |
InChI Key: | MZSODWGEXJVWSH-UHFFFAOYSA-N |