{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K781-2367 |
| Compound Name: | {4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 526.45 |
| Molecular Formula: | C25 H24 Br N3 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9636 |
| logD: | 6.9636 |
| logSw: | -5.5983 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.655 |
| InChI Key: | XWYPIANQKNAZSG-UHFFFAOYSA-N |