[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
[4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K781-1849 |
| Compound Name: | [4-(2,3-dimethylphenyl)piperazin-1-yl]{4-[(3-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | Cc1cccc(CS(c2ccc(cc2[N+]([O-])=O)C(N2CCN(CC2)c2cccc(C)c2C)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4708 |
| logD: | 5.4708 |
| logSw: | -5.371 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.691 |
| InChI Key: | LBQYPJRCAYOVJV-UHFFFAOYSA-N |