N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8014-5656 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C18 H14 N4 O6 S |
| Smiles: | CC(c1cc2c(cc1NC(CSc1nc3cc(ccc3[nH]1)[N+]([O-])=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3291 |
| logD: | 1.6759 |
| logSw: | -3.1105 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.755 |
| InChI Key: | YZEDGPGEWQJGHN-UHFFFAOYSA-N |