606959-10-8
(5Z)-5-[4-(ALLYLOXY)-3-METHOXYBENZYLIDENE]-2-(4-ETHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE
Name(5Z)-5-[4-(ALLYLOXY)-3-METHOXYBENZYLIDENE]-2-(4-ETHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE
1Identification
【Name】
(5Z)-5-[4-(ALLYLOXY)-3-METHOXYBENZYLIDENE]-2-(4-ETHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE
【CAS】
【MDL】
MFCD03533365
【English Synonyms】
【Formula】
C23 H21 N3 O4 S
【MolWeight】
435.502
【Inchi】
InChI=1S/C23H21N3O4S/c1-4-12-30-18-11-6-15(13-19(18)28-3)14-20-22(27)26-23(31-20)24-21(25-26)16-7-9-17(10-8-16)29-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3/b20-14-
【InChIKey】
InChIKey=UUKQXQKQWIPIJC-ZHZULCJRSA-N
【SMILES】
CCOc1ccc(cc1)c2nc3n(n2)c(=O)/c(=C/c4ccc(c(c4)OC)OCC=C)/s3
【MOL File】
(5Z)-5-[4-(ALLYLOXY)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5Z)-5-[4-(ALLYLOXY)-3-METHOXYBENZYLIDENE]-2-(4-ETHOXYPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE.cml