579442-13-0
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-CL-2-ME-PH)ACETAMIDE
Name2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-CL-2-ME-PH)ACETAMIDE
FormulaC17 H15 Cl2 N5 O S
1Identification
【Name】
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-CL-2-ME-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04032684
【English Synonyms】
【Formula】
C17 H15 Cl2 N5 O S
【MolWeight】
408.311
【Inchi】
InChI=1S/C17H15Cl2N5OS/c1-10-8-13(19)6-7-14(10)21-15(25)9-26-17-23-22-16(24(17)20)11-2-4-12(18)5-3-11/h2-8H,9,20H2,1H3,(H,21,25)
【InChIKey】
InChIKey=NPILCZPOPPNSHG-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)Cl
【MOL File】
2-((4-AMINO-5-(4-CL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
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-(4-CL-2-ME-PH)ACETAMIDE.cml