N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y510-4874 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C17 H14 N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4977 |
| logD: | 1.8446 |
| logSw: | -2.9883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.948 |
| InChI Key: | YONUBLOXHZXSBS-UHFFFAOYSA-N |