2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8001-2880 |
| Compound Name: | 2-[(1-benzyl-1H-imidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | C(c1ccccc1)n1ccnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4292 |
| logD: | 3.4238 |
| logSw: | -3.8357 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.687 |
| InChI Key: | CSCSDFCPHUMHNW-UHFFFAOYSA-N |