N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G786-1011 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1ccc(Cn2ccnc2SCC(NCc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3941 |
| logD: | 3.3805 |
| logSw: | -3.67 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.645 |
| InChI Key: | SHVSUZMBIOXVAK-UHFFFAOYSA-N |