HIT ID: HIT212671455
Cas No: 1629063-78-0
分子式: C24H30FN3O7S
分子量: 523.58
常用名: Ibiglustat (L-Malic acid)
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.822068
IUPAC: (2S)-2-hydroxybutanedioic acid; (3S)-1-azabicyclo[2.2.2]octan-3-yl N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
IUPAC: (2S)-2-hydroxybutanedioic acid; (3S)-1-azabicyclo[2.2.2]octan-3-yl N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
SMILES: O[C@@H](CC(O)=O)C(O)=O.CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1
SMILES: O[C@@H](CC(O)=O)C(O)=O.CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1
InChI key: SQXUKOJKIWCALK-AAXLQGCPSA-N
