539808-41-8
N-MESITYL-2-((4-PH-5-((4-PROPYLPHENOXY)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-MESITYL-2-((4-PH-5-((4-PROPYLPHENOXY)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-MESITYL-2-((4-PH-5-((4-PROPYLPHENOXY)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD03460649
【English Synonyms】
【Formula】
C29 H32 N4 O2 S
【MolWeight】
500.664
【Inchi】
InChI=1S/C29H32N4O2S/c1-5-9-23-12-14-25(15-13-23)35-18-26-31-32-29(33(26)24-10-7-6-8-11-24)36-19-27(34)30-28-21(3)16-20(2)17-22(28)4/h6-8,10-17H,5,9,18-19H2,1-4H3,(H,30,34)
【InChIKey】
InChIKey=ZODSYBZKNXYVIL-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4c(cc(cc4C)C)C
【MOL File】
N-MESITYL-2-((4-PH-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-MESITYL-2-((4-PH-5-((4-PROPYLPHENOXY)ME)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml