5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 4299-1991 |
| Compound Name: | 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | C(c1cccnc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7385 |
| logD: | 2.7255 |
| logSw: | -3.2912 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.345 |
| InChI Key: | AAEUJKNZUMOJDJ-UHFFFAOYSA-N |