540499-19-2
2-[(4-AMINO-5-PENTYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Name2-[(4-AMINO-5-PENTYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
pro_formulaC16 H20 F3 N5 O S
1Identification
【Name】
2-[(4-AMINO-5-PENTYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD03494525
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H20 F3 N5 O S
【pro_molWeight】
387.428
【Inchi】
InChI=1S/C16H20F3N5OS/c1-2-3-4-8-13-22-23-15(24(13)20)26-10-14(25)21-12-7-5-6-11(9-12)16(17,18)19/h5-7,9H,2-4,8,10,20H2,1H3,(H,21,25)
【InChIKey】
InChIKey=HBPQPYVDAMFPQK-UHFFFAOYSA-N
【SMILES】
CCCCCc1nnc(n1N)SCC(=O)Nc2cccc(c2)C(F)(F)F
【MOL File】
2-[(4-AMINO-5-PENTYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[(4-AMINO-5-PENTYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE.cml