181629-93-6
N-[3-FLUORO-5-(3-PYRINDYL)PHENYL]-2,3-DIHYDRO-5-METHOXY-6-(TRIFLUOROMETHYL)-1H-INDOLE-1-CARBOXAMIDE
NameN-[3-FLUORO-5-(3-PYRINDYL)PHENYL]-2,3-DIHYDRO-5-METHOXY-6-(TRIFLUOROMETHYL)-1H-INDOLE-1-CARBOXAMIDE
1Identification
【Name】
N-[3-FLUORO-5-(3-PYRINDYL)PHENYL]-2,3-DIHYDRO-5-METHOXY-6-(TRIFLUOROMETHYL)-1H-INDOLE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD00950378
【English Synonyms】
【Formula】
C22 H17 F4 N3 O2
【MolWeight】
431.387
【Inchi】
InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
【InChIKey】
InChIKey=RRJLJKRFFRZRAF-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1C(F)(F)F)N(CC2)C(=O)Nc3cc(cc(c3)F)c4cccnc4
【MOL File】
N-[3-FLUORO-5-(3-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[3-FLUORO-5-(3-PYRINDYL)PHENYL]-2,3-DIHYDRO-5-METHOXY-6-(TRIFLUOROMETHYL)-1H-INDOLE-1-CARBOXAMIDE.cml