952475-65-9
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
Name2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
FormulaC16 H15 F N4 O . C2 H F3 O2
1Identification
【Name】
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE
【CAS】
【MDL】
MFCD11977565
【English Synonyms】
【Formula】
C16 H15 F N4 O . C2 H F3 O2
【MolWeight】
412.341
【Inchi】
InChI=1S/C16H15FN4O.C2HF3O2/c1-19-8-10-2-4-13(5-3-10)21-9-11-6-12(17)7-14(16(18)22)15(11)20-21;3-2(4,5)1(6)7/h2-7,9,19H,8H2,1H3,(H2,18,22);(H,6,7)
【InChIKey】
InChIKey=PWQUVACTEMKCOS-UHFFFAOYSA-N
【SMILES】
CNCc1ccc(cc1)n2cc3cc(cc(c3n2)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:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-INDAZOLE-7-CARBOXAMIDE, 5-FLUORO-2-[4-[(METHYLAMINO)METHYL]PHENYL]-, 2,2,2-TRIFLUOROACETATE.cml