609794-50-5
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-N-(4-ETHOXYPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
Name6-[4-(ALLYLOXY)PHENYL]-3-AMINO-N-(4-ETHOXYPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
FormulaC26 H22 F3 N3 O3 S
1Identification
【Name】
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-N-(4-ETHOXYPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03529216
【English Synonyms】
【Formula】
C26 H22 F3 N3 O3 S
【MolWeight】
513.538
【Inchi】
InChI=1S/C26H22F3N3O3S/c1-3-13-35-18-9-5-15(6-10-18)20-14-19(26(27,28)29)21-22(30)23(36-25(21)32-20)24(33)31-16-7-11-17(12-8-16)34-4-2/h3,5-12,14H,1,4,13,30H2,2H3,(H,31,33)
【InChIKey】
InChIKey=SLAWCZPSWBQGPV-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)NC(=O)c2c(c3c(cc(nc3s2)c4ccc(cc4)OCC=C)C(F)(F)F)N
【MOL File】
6-[4-(ALLYLOXY)PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-[4-(ALLYLOXY)PHENYL]-3-AMINO-N-(4-ETHOXYPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE.cml