N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | G621-0054 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide |
Molecular Weight: | 425.51 |
Molecular Formula: | C22 H23 N3 O4 S |
Smiles: | Cc1ccc(Cn2c(CO)cnc2SCC(NCc2ccc3c(c2)OCO3)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.0499 |
logD: | 3.0474 |
logSw: | -3.0187 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.946 |
InChI Key: | CFBSYXLKTUHYPJ-UHFFFAOYSA-N |