5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 4541-1792 |
| Compound Name: | 5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline |
| Molecular Weight: | 532.41 |
| Molecular Formula: | C22 H22 Br N5 O4 S |
| Smiles: | C(c1cccnc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7574 |
| logD: | 3.7444 |
| logSw: | -3.9593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.345 |
| InChI Key: | ZJOAFWAEAXETKZ-UHFFFAOYSA-N |