578747-81-6
3-((3-FLUOROBENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
Name3-((3-FLUOROBENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
1Identification
【Name】
3-((3-FLUOROBENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
【CAS】
【MDL】
MFCD04024990
【English Synonyms】
【Formula】
C18 H19 F N4 O3 S
【MolWeight】
390.437
【Inchi】
InChI=1S/C18H19FN4O3S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17-21-22-18(23(17)20)27-10-11-5-4-6-13(19)7-11/h4-9H,10,20H2,1-3H3
【InChIKey】
InChIKey=MCBISCHWRKAALU-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)c2nnc(n2N)SCc3cccc(c3)F
【MOL File】
3-((3-FLUOROBENZYL)T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-((3-FLUOROBENZYL)THIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-YLAMINE.cml