445020-71-3
2-METHYL-N-(4-METHYL-2-PYRIDINYL)-5-OXO-7-PHENYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
Name2-METHYL-N-(4-METHYL-2-PYRIDINYL)-5-OXO-7-PHENYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
1Identification
【Name】
2-METHYL-N-(4-METHYL-2-PYRIDINYL)-5-OXO-7-PHENYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
【CAS】
【MDL】
MFCD02607617
【English Synonyms】
【Formula】
C30 H26 F3 N3 O2
【MolWeight】
517.548
【Inchi】
InChI=1S/C30H26F3N3O2/c1-17-12-13-34-25(14-17)36-29(38)26-18(2)35-23-15-20(19-8-4-3-5-9-19)16-24(37)28(23)27(26)21-10-6-7-11-22(21)30(31,32)33/h3-14,20,27,35H,15-16H2,1-2H3,(H,34,36,38)
【InChIKey】
InChIKey=CZJPLLGGDUWVIZ-UHFFFAOYSA-N
【SMILES】
Cc1ccnc(c1)NC(=O)C2=C(NC3=C(C2c4ccccc4C(F)(F)F)C(=O)CC(C3)c5ccccc5)C
【MOL File】
2-METHYL-N-(4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-N-(4-METHYL-2-PYRIDINYL)-5-OXO-7-PHENYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE.cml