569322-93-6
3-(4-BROMOPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
Name3-(4-BROMOPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
FormulaC22 H14 Br F3 N2 O S
1Identification
【Name】
3-(4-BROMOPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD03474247
【English Synonyms】
【Formula】
C22 H14 Br F3 N2 O S
【MolWeight】
491.33
【Inchi】
InChI=1S/C22H14BrF3N2OS/c23-16-8-10-17(11-9-16)28-20(29)18-6-1-2-7-19(18)27-21(28)30-13-14-4-3-5-15(12-14)22(24,25)26/h1-12H,13H2
【InChIKey】
InChIKey=WCUJTFQYGHCBIJ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)n(c(n2)SCc3cccc(c3)C(F)(F)F)c4ccc(cc4)Br
【MOL File】
3-(4-BROMOPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-BROMOPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE.cml