(4-benzylpiperazin-1-yl){4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
(4-benzylpiperazin-1-yl){4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}methanone
(4-benzylpiperazin-1-yl){4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K781-5563 |
| Compound Name: | (4-benzylpiperazin-1-yl){4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 512.42 |
| Molecular Formula: | C24 H22 Br N3 O3 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.521 |
| logD: | 5.5056 |
| logSw: | -5.9139 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.236 |
| InChI Key: | LUYJSTHVCWSZAS-UHFFFAOYSA-N |