609794-48-1
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-4-(TRIFLUOROMETHYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
Name6-[4-(ALLYLOXY)PHENYL]-3-AMINO-4-(TRIFLUOROMETHYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
FormulaC25 H17 F6 N3 O2 S
1Identification
【Name】
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-4-(TRIFLUOROMETHYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03529192
【English Synonyms】
【Formula】
C25 H17 F6 N3 O2 S
【MolWeight】
537.482
【Inchi】
InChI=1S/C25H17F6N3O2S/c1-2-10-36-16-8-6-13(7-9-16)18-12-17(25(29,30)31)19-20(32)21(37-23(19)34-18)22(35)33-15-5-3-4-14(11-15)24(26,27)28/h2-9,11-12H,1,10,32H2,(H,33,35)
【InChIKey】
InChIKey=RJXPKRNHHSGGLM-UHFFFAOYSA-N
【SMILES】
C=CCOc1ccc(cc1)c2cc(c3c(c(sc3n2)C(=O)Nc4cccc(c4)C(F)(F)F)N)C(F)(F)F
【MOL File】
6-[4-(ALLYLOXY)PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-4-(TRIFLUOROMETHYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE.cml