763108-68-5
2((4-AMINO-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2,6-DI-ME-PH)ACETAMIDE
Name2((4-AMINO-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2,6-DI-ME-PH)ACETAMIDE
FormulaC18 H17 Cl2 N5 O S
1Identification
【Name】
2((4-AMINO-5-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2,6-DI-ME-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04013129
【English Synonyms】
【Formula】
C18 H17 Cl2 N5 O S
【MolWeight】
422.338
【Inchi】
InChI=1S/C18H17Cl2N5OS/c1-10-4-3-5-11(2)16(10)22-15(26)9-27-18-24-23-17(25(18)21)13-7-6-12(19)8-14(13)20/h3-8H,9,21H2,1-2H3,(H,22,26)
【InChIKey】
InChIKey=YHDAMUFCUAFTTR-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CSc2nnc(n2N)c3ccc(cc3Cl)Cl)C
【MOL File】
2((4-AMINO-5-(2,4-DI….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-(2,4-DI-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2,6-DI-ME-PH)ACETAMIDE.cml