763111-44-0
2-((4-BROMOBENZYL)THIO)-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE
Name2-((4-BROMOBENZYL)THIO)-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE
FormulaC22 H17 Br N2 O2 S
1Identification
【Name】
2-((4-BROMOBENZYL)THIO)-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD03473519
【English Synonyms】
【Formula】
C22 H17 Br N2 O2 S
【MolWeight】
453.358
【Inchi】
InChI=1S/C22H17BrN2O2S/c1-27-18-12-10-17(11-13-18)25-21(26)19-4-2-3-5-20(19)24-22(25)28-14-15-6-8-16(23)9-7-15/h2-13H,14H2,1H3
【InChIKey】
InChIKey=FQKVCBLOPZZTBT-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4ccc(cc4)Br
【MOL File】
2-((4-BROMOBENZYL)TH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-BROMOBENZYL)THIO)-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE.cml