538337-04-1
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3,4-DICHLOROPHENYL)ACETAMIDE
Name2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3,4-DICHLOROPHENYL)ACETAMIDE
FormulaC24 H19 Br Cl2 N4 O2 S
1Identification
【Name】
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3,4-DICHLOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154822
【English Synonyms】
【Formula】
C24 H19 Br Cl2 N4 O2 S
【MolWeight】
578.316
【Inchi】
InChI=1S/C24H19BrCl2N4O2S/c25-17-6-9-19(10-7-17)33-14-22-29-30-24(31(22)13-16-4-2-1-3-5-16)34-15-23(32)28-18-8-11-20(26)21(27)12-18/h1-12H,13-15H2,(H,28,32)
【InChIKey】
InChIKey=KHKOZGFDBXNQHI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c(nnc2SCC(=O)Nc3ccc(c(c3)Cl)Cl)COc4ccc(cc4)Br
【MOL File】
2-([4-BENZYL-5-[(4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3,4-DICHLOROPHENYL)ACETAMIDE.cml