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 |