774460-98-9
5-METHYL-7-(3-(TRIFLUOROMETHYL)PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-IMIDAZO[5,1-F][1,2,4]-TRIAZIN-2-AMINE
Name5-METHYL-7-(3-(TRIFLUOROMETHYL)PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-IMIDAZO[5,1-F][1,2,4]-TRIAZIN-2-AMINE
1Identification
【Name】
5-METHYL-7-(3-(TRIFLUOROMETHYL)PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-IMIDAZO[5,1-F][1,2,4]-TRIAZIN-2-AMINE
【CAS】
【MDL】
MFCD10565674
【English Synonyms】
【Formula】
C22 H20 F3 N5 O3
【MolWeight】
459.426
【Inchi】
InChI=1S/C22H20F3N5O3/c1-12-16-11-26-21(28-15-9-17(31-2)19(33-4)18(10-15)32-3)29-30(16)20(27-12)13-6-5-7-14(8-13)22(23,24)25/h5-11H,1-4H3,(H,28,29)
【InChIKey】
InChIKey=FGUYNCHKIOFPMS-UHFFFAOYSA-N
【SMILES】
Cc1c2cnc(nn2c(n1)c3cccc(c3)C(F)(F)F)Nc4cc(c(c(c4)OC)OC)OC
【MOL File】
5-METHYL-7-(3-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-7-(3-(TRIFLUOROMETHYL)PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-IMIDAZO[5,1-F][1,2,4]-TRIAZIN-2-AMINE.cml