[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-fluorophenyl)methanesulfonyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-fluorophenyl)methanesulfonyl]-3-nitrophenyl}methanone
[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-fluorophenyl)methanesulfonyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K781-1846 |
| Compound Name: | [4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-fluorophenyl)methanesulfonyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C26 H26 F N3 O5 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9463 |
| logD: | 4.9463 |
| logSw: | -4.7861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.691 |
| InChI Key: | JRENXMYWEXQNCS-UHFFFAOYSA-N |