2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
Compound characteristics
Compound ID: | F711-0738 |
Compound Name: | 2-[2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-[(4-chlorophenyl)methyl]acetamide |
Molecular Weight: | 488.95 |
Molecular Formula: | C22 H21 Cl N4 O5 S |
Smiles: | C(c1ccc(cc1)[Cl])NC(Cn1c(CO)cnc1SCC(Nc1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6249 |
logD: | 2.6246 |
logSw: | -3.2126 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 93.095 |
InChI Key: | UBGWZKXZDDYHDX-UHFFFAOYSA-N |