763139-01-1
2-((5-BENZYL-4-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHYLPHENYL)ACETAMIDE
Name2-((5-BENZYL-4-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-((5-BENZYL-4-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154685
【English Synonyms】
【Formula】
C25 H23 F N4 O S
【MolWeight】
446.548
【Inchi】
InChI=1S/C25H23FN4OS/c1-2-18-8-12-21(13-9-18)27-24(31)17-32-25-29-28-23(16-19-6-4-3-5-7-19)30(25)22-14-10-20(26)11-15-22/h3-15H,2,16-17H2,1H3,(H,27,31)
【InChIKey】
InChIKey=GMGMNLCMONDRHO-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)CSc2nnc(n2c3ccc(cc3)F)Cc4ccccc4
【MOL File】
2-((5-BENZYL-4-(4-F-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((5-BENZYL-4-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHYLPHENYL)ACETAMIDE.cml