568548-60-7
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(3,5-DIMETHOXY-PH)ACETAMIDE
Name2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(3,5-DIMETHOXY-PH)ACETAMIDE
FormulaC18 H18 Cl N5 O3 S
1Identification
【Name】
2-((4-AMINO-5-(4-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(3,5-DIMETHOXY-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04025070
【English Synonyms】
【Formula】
C18 H18 Cl N5 O3 S
【MolWeight】
419.891
【Inchi】
InChI=1S/C18H18ClN5O3S/c1-26-14-7-13(8-15(9-14)27-2)21-16(25)10-28-18-23-22-17(24(18)20)11-3-5-12(19)6-4-11/h3-9H,10,20H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=FZZIVYDPJPLERJ-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1)OC)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl
【MOL File】
2-((4-AMINO-5-(4-CL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
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-(3,5-DIMETHOXY-PH)ACETAMIDE.cml