952475-70-6
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[[[[1-(HYDROXYMETHYL)CYCLOHEXYL]METHYL]AMINO]METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
Name2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[[[[1-(HYDROXYMETHYL)CYCLOHEXYL]METHYL]AMINO]METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
FormulaC23 H27 F N4 O2 . C2 H F3 O2
1Identification
【Name】
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[[[[1-(HYDROXYMETHYL)CYCLOHEXYL]METHYL]AMINO]METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
【CAS】
【MDL】
MFCD11977563
【English Synonyms】
【Formula】
C23 H27 F N4 O2 . C2 H F3 O2
【MolWeight】
524.512
【Inchi】
InChI=1S/C23H27FN4O2.C2HF3O2/c24-18-10-17-13-28(27-21(17)20(11-18)22(25)30)19-6-4-16(5-7-19)12-26-14-23(15-29)8-2-1-3-9-23;3-2(4,5)1(6)7/h4-7,10-11,13,26,29H,1-3,8-9,12,14-15H2,(H2,25,30);(H,6,7)
【InChIKey】
InChIKey=LFFTZXQAWVWMAI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CNCC2(CCCCC2)CO)n3cc4cc(cc(c4n3)C(=O)N)F.C(=O)(C(F)(F)F)O
【MOL File】
2H-INDAZOLE-7-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[[[[1-(HYDROXYMETHYL)CYCLOHEXYL]METHYL]AMINO]METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE.cml