HIT ID: HIT214323326
Cas No: 2323623-80-7
分子式: C26H28F3N5O3S2
分子量: 579.66
常用名: AS-85
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-{[3-(3-carbamothioylphenyl)-1-(1-trifluoromethanesulfonylpiperidin-4-yl)-1H-indol-6-yl]methyl}azetidine-3-carboxamide
IUPAC: N-{[3-(3-carbamothioylphenyl)-1-(1-trifluoromethanesulfonylpiperidin-4-yl)-1H-indol-6-yl]methyl}azetidine-3-carboxamide
SMILES: NC(=S)c1cccc(c1)-c1cn(C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(CNC(=O)C3CNC3)ccc12
SMILES: NC(=S)c1cccc(c1)-c1cn(C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(CNC(=O)C3CNC3)ccc12
InChI key: WDQKQCWRQIVDBA-UHFFFAOYSA-N