556790-83-1
3-(4-METHYLPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
Name3-(4-METHYLPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
1Identification
【Name】
3-(4-METHYLPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD03474007
【English Synonyms】
【Formula】
C23 H17 F3 N2 O S
【MolWeight】
426.46
【Inchi】
InChI=1S/C23H17F3N2OS/c1-15-9-11-18(12-10-15)28-21(29)19-7-2-3-8-20(19)27-22(28)30-14-16-5-4-6-17(13-16)23(24,25)26/h2-13H,14H2,1H3
【InChIKey】
InChIKey=IGBNSBHCEWRFST-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4cccc(c4)C(F)(F)F
【MOL File】
3-(4-METHYLPHENYL)-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-METHYLPHENYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)THIO)-4(3H)-QUINAZOLINONE.cml