2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 1185-0575 |
| Compound Name: | 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | Cn1c2ccccc2nc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4447 |
| logD: | 3.4355 |
| logSw: | -3.9202 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.187 |
| InChI Key: | BPTANYFQUOPQTQ-UHFFFAOYSA-N |