2-{[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
Compound ID: | C290-0088 |
Compound Name: | 2-{[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
Molecular Weight: | 418.27 |
Molecular Formula: | C17 H12 Br N3 O3 S |
Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1ncc(c2ccc(cc2)[Br])[nH]1 |
Stereo: | ACHIRAL |
logP: | 4.4428 |
logD: | 4.4326 |
logSw: | -4.3578 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.157 |
InChI Key: | KTZLNBPAFREODW-UHFFFAOYSA-N |