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 |