5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8012-6097 |
| Compound Name: | 5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C17 H21 N5 O4 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2386 |
| logD: | 1.2256 |
| logSw: | -1.8991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.109 |
| InChI Key: | YVGHHYMCMFMAQZ-UHFFFAOYSA-N |