N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G621-0185 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1ncc(CO)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6265 |
| logD: | 2.624 |
| logSw: | -2.8542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.946 |
| InChI Key: | WEMRDDDJVHZBDB-UHFFFAOYSA-N |