[4-(2,5-dimethylphenyl)piperazin-1-yl]{4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
[4-(2,5-dimethylphenyl)piperazin-1-yl]{4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
[4-(2,5-dimethylphenyl)piperazin-1-yl]{4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Compound characteristics
Compound ID: | K781-2384 |
Compound Name: | [4-(2,5-dimethylphenyl)piperazin-1-yl]{4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone |
Molecular Weight: | 465.55 |
Molecular Formula: | C25 H24 F N3 O3 S |
Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 6.1931 |
logD: | 6.1931 |
logSw: | -5.4495 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.655 |
InChI Key: | ATSUSXSHXBXYNB-UHFFFAOYSA-N |