577981-05-6
2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXYPHENYL)ACETAMIDE
Name2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXYPHENYL)ACETAMIDE
FormulaC17 H16 Cl N5 O2 S
1Identification
【Name】
2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04021482
【English Synonyms】
【Formula】
C17 H16 Cl N5 O2 S
【MolWeight】
389.865
【Inchi】
InChI=1S/C17H16ClN5O2S/c1-25-14-7-5-13(6-8-14)20-15(24)10-26-17-22-21-16(23(17)19)11-3-2-4-12(18)9-11/h2-9H,10,19H2,1H3,(H,20,24)
【InChIKey】
InChIKey=WXHRMBCDZLDNBE-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)NC(=O)CSc2nnc(n2N)c3cccc(c3)Cl
【MOL File】
2-((4-AMINO-5-(3-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-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXYPHENYL)ACETAMIDE.cml