713099-80-0
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-MEO-5-ME-PH)ACETAMIDE
Name2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-MEO-5-ME-PH)ACETAMIDE
FormulaC18 H18 Cl N5 O2 S
1Identification
【Name】
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-MEO-5-ME-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04024906
【English Synonyms】
【Formula】
C18 H18 Cl N5 O2 S
【MolWeight】
403.892
【Inchi】
InChI=1S/C18H18ClN5O2S/c1-11-3-8-15(26-2)14(9-11)21-16(25)10-27-18-23-22-17(24(18)20)12-4-6-13(19)7-5-12/h3-9H,10,20H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=KQZRGQGQTLODJE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)OC
【MOL File】
2-((4-AMINO-5-(4-CL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-MEO-5-ME-PH)ACETAMIDE.cml