573709-84-9
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04018425
【English Synonyms】
【Formula】
C19 H18 F N5 O S
【MolWeight】
383.449
【Inchi】
InChI=1S/C19H18FN5OS/c1-3-10-25-18(16-6-4-5-9-21-16)23-24-19(25)27-12-17(26)22-14-8-7-13(2)15(20)11-14/h3-9,11H,1,10,12H2,2H3,(H,22,26)
【InChIKey】
InChIKey=CLZBKEMSWMDHAX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1F)NC(=O)CSc2nnc(n2CC=C)c3ccccn3
【MOL File】
2-[[4-ALLYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE.cml