617696-20-5
3-AMINO-6-(4-BUTOXYPHENYL)-N-(4-FLUOROPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
Name3-AMINO-6-(4-BUTOXYPHENYL)-N-(4-FLUOROPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
FormulaC25 H21 F4 N3 O2 S
1Identification
【Name】
3-AMINO-6-(4-BUTOXYPHENYL)-N-(4-FLUOROPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03529178
【English Synonyms】
【Formula】
C25 H21 F4 N3 O2 S
【MolWeight】
503.518
【Inchi】
InChI=1S/C25H21F4N3O2S/c1-2-3-12-34-17-10-4-14(5-11-17)19-13-18(25(27,28)29)20-21(30)22(35-24(20)32-19)23(33)31-16-8-6-15(26)7-9-16/h4-11,13H,2-3,12,30H2,1H3,(H,31,33)
【InChIKey】
InChIKey=XOWGMDMIORVCMJ-UHFFFAOYSA-N
【SMILES】
CCCCOc1ccc(cc1)c2cc(c3c(c(sc3n2)C(=O)Nc4ccc(cc4)F)N)C(F)(F)F
【MOL File】
3-AMINO-6-(4-BUTOXYP….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
3-AMINO-6-(4-BUTOXYPHENYL)-N-(4-FLUOROPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE.cml