606961-71-1
4-[(Z)-(2-(4-BROMOPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]-2,6-DIMETHYLPHENYL ACETATE
Name4-[(Z)-(2-(4-BROMOPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]-2,6-DIMETHYLPHENYL ACETATE
FormulaC21 H16 Br N3 O3 S
1Identification
【Name】
4-[(Z)-(2-(4-BROMOPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]-2,6-DIMETHYLPHENYL ACETATE
【CAS】
【MDL】
MFCD03533445
【English Synonyms】
【Formula】
C21 H16 Br N3 O3 S
【MolWeight】
470.345
【Inchi】
InChI=1S/C21H16BrN3O3S/c1-11-8-14(9-12(2)18(11)28-13(3)26)10-17-20(27)25-21(29-17)23-19(24-25)15-4-6-16(22)7-5-15/h4-10H,1-3H3/b17-10-
【InChIKey】
InChIKey=ZMTJBJPRZZKNFI-YVLHZVERSA-N
【SMILES】
Cc1cc(cc(c1OC(=O)C)C)/C=c\2/c(=O)n3c(s2)nc(n3)c4ccc(cc4)Br
【MOL File】
4-[(Z)-(2-(4-BROMOPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(Z)-(2-(4-BROMOPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]-2,6-DIMETHYLPHENYL ACETATE.cml