116989-79-8
((1-(4-BROMOPHENYL)-5-((6H-INDOLO(2,3-B)QUINOXALIN-6-YL)METHYL)-1H-1,3,4-TRIAZOL-2-YL)THIO)ACETIC ACID
Name((1-(4-BROMOPHENYL)-5-((6H-INDOLO(2,3-B)QUINOXALIN-6-YL)METHYL)-1H-1,3,4-TRIAZOL-2-YL)THIO)ACETIC ACID
FormulaC25 H17 Br N6 O2 S
1Identification
【Name】
((1-(4-BROMOPHENYL)-5-((6H-INDOLO(2,3-B)QUINOXALIN-6-YL)METHYL)-1H-1,3,4-TRIAZOL-2-YL)THIO)ACETIC ACID
【CAS】
【MDL】
MFCD01671772
【English Synonyms】
【Formula】
C25 H17 Br N6 O2 S
【MolWeight】
545.419
【Inchi】
InChI=1S/C25H17BrN6O2S/c26-15-9-11-16(12-10-15)32-21(29-30-25(32)35-14-22(33)34)13-31-20-8-4-1-5-17(20)23-24(31)28-19-7-3-2-6-18(19)27-23/h1-12H,13-14H2,(H,33,34)
【InChIKey】
InChIKey=ZGYIEAGZWWSCOI-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c3c(n2Cc4nnc(n4c5ccc(cc5)Br)SCC(=O)O)nc6ccccc6n3
【MOL File】
((1-(4-BROMOPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((1-(4-BROMOPHENYL)-5-((6H-INDOLO(2,3-B)QUINOXALIN-6-YL)METHYL)-1H-1,3,4-TRIAZOL-2-YL)THIO)ACETIC ACID.cml