N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y505-4970 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 386.38 |
| Molecular Formula: | C17 H14 N4 O5 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8759 |
| logD: | 1.2227 |
| logSw: | -2.7485 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.334 |
| InChI Key: | LQQKOYMISPSFPT-UHFFFAOYSA-N |