N-benzyl-5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-benzyl-5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8012-1064 |
| Compound Name: | N-benzyl-5-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 531.43 |
| Molecular Formula: | C23 H23 Br N4 O4 S |
| Smiles: | C(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9851 |
| logD: | 4.9851 |
| logSw: | -4.9464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.827 |
| InChI Key: | GJUAMFYIINSWDD-UHFFFAOYSA-N |