728907-98-0
4-(2-([5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)ACETAMIDO)BENZOIC ACID
Name4-(2-([5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)ACETAMIDO)BENZOIC ACID
1Identification
【Name】
4-(2-([5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)ACETAMIDO)BENZOIC ACID
【CAS】
【MDL】
MFCD03966865
【English Synonyms】
【Formula】
C20 H19 N3 O7 S
【MolWeight】
445.45
【Inchi】
InChI=1S/C20H19N3O7S/c1-27-14-8-12(9-15(28-2)17(14)29-3)18-22-23-20(30-18)31-10-16(24)21-13-6-4-11(5-7-13)19(25)26/h4-9H,10H2,1-3H3,(H,21,24)(H,25,26)
【InChIKey】
InChIKey=JEYPTAVKLRNUSR-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)c2nnc(o2)SCC(=O)Nc3ccc(cc3)C(=O)O
【MOL File】
4-(2-([5-(3,4,5-TRIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-([5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL)ACETAMIDO)BENZOIC ACID.cml