763126-04-1
2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(5-FLUORO-2-METHYLPHENYL)ACETAMIDE
Name2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(5-FLUORO-2-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(5-FLUORO-2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04404201
【English Synonyms】
【Formula】
C23 H19 F N4 O S
【MolWeight】
418.494
【Inchi】
InChI=1S/C23H19FN4OS/c1-16-12-13-18(24)14-20(16)25-21(29)15-30-23-27-26-22(17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,25,29)
【InChIKey】
InChIKey=HAALMABNKVMRMB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)CSc2nnc(n2c3ccccc3)c4ccccc4)F
【MOL File】
2-[(4,5-DIPHENYL-4H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(5-FLUORO-2-METHYLPHENYL)ACETAMIDE.cml