2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]-N-[(pyridin-3-yl)methyl]aniline
2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
Compound ID: | 8014-0488 |
Compound Name: | 2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]-N-[(pyridin-3-yl)methyl]aniline |
Molecular Weight: | 467.55 |
Molecular Formula: | C23 H25 N5 O4 S |
Smiles: | C(c1cccnc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(Cc1ccccc1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5229 |
logD: | 2.5099 |
logSw: | -2.6357 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.239 |
InChI Key: | ZGGFHYRURDZRSQ-UHFFFAOYSA-N |