N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1965 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C19 H16 N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nccn1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9248 |
| logD: | 2.8993 |
| logSw: | -3.3954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.486 |
| InChI Key: | INOUUWPBCAYUJZ-UHFFFAOYSA-N |