HIT ID: HIT218849868
Cas No: 876170-44-4
分子式: C16H17Cl2N3O3S
分子量: 402.29
常用名: Sofinicline benzenesulfonate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane; benzenesulfonic acid
IUPAC: (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane; benzenesulfonic acid
SMILES: OS(=O)(=O)c1ccccc1.[H][C@@]12CN[C@]1([H])CN(C2)c1cnc(Cl)c(Cl)c1
SMILES: OS(=O)(=O)c1ccccc1.[H][C@@]12CN[C@]1([H])CN(C2)c1cnc(Cl)c(Cl)c1
InChI key: QDWNBBFBKYGQFG-RDNZEXAOSA-N