1-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
1-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one
Compound characteristics
| Compound ID: | D036-1737 |
| Compound Name: | 1-{4-[(1H-benzimidazol-2-yl)sulfanyl]-3-nitrophenyl}ethan-1-one |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3224 |
| logD: | 3.3068 |
| logSw: | -3.8156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.887 |
| InChI Key: | SLPIJEOCCRQURC-UHFFFAOYSA-N |