438017-40-4
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
NameN-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
pro_formulaC24 H19 Br2 N3 O2 S
1Identification
【Name】
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03474006
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H19 Br2 N3 O2 S
【pro_molWeight】
573.307
【Inchi】
InChI=1S/C24H19Br2N3O2S/c1-14-7-9-16(10-8-14)29-23(31)17-5-3-4-6-20(17)27-24(29)32-13-21(30)28-22-18(25)11-15(2)12-19(22)26/h3-12H,13H2,1-2H3,(H,28,30)
【InChIKey】
InChIKey=LDDBKTXRLPZAAD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCC(=O)Nc4c(cc(cc4Br)C)Br
【MOL File】
N-(2,6-DIBROMO-4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDRO-2-QUINAZOLINYL]SULFANYL]ACETAMIDE.cml