760203-10-9
3-(4-CHLOROPHENYL)-2-((2,5-DIMETHYLBENZYL)THIO)-4(3H)-QUINAZOLINONE
Name3-(4-CHLOROPHENYL)-2-((2,5-DIMETHYLBENZYL)THIO)-4(3H)-QUINAZOLINONE
1Identification
【Name】
3-(4-CHLOROPHENYL)-2-((2,5-DIMETHYLBENZYL)THIO)-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD03473772
【English Synonyms】
【Formula】
C23 H19 Cl N2 O S
【MolWeight】
406.935
【Inchi】
InChI=1S/C23H19ClN2OS/c1-15-7-8-16(2)17(13-15)14-28-23-25-21-6-4-3-5-20(21)22(27)26(23)19-11-9-18(24)10-12-19/h3-13H,14H2,1-2H3
【InChIKey】
InChIKey=YCYZMRCMPJUIQJ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)CSc2nc3ccccc3c(=O)n2c4ccc(cc4)Cl)C
【MOL File】
3-(4-CHLOROPHENYL)-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-CHLOROPHENYL)-2-((2,5-DIMETHYLBENZYL)THIO)-4(3H)-QUINAZOLINONE.cml