538336-49-1
N-CYCLOHEXYL-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-CYCLOHEXYL-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-CYCLOHEXYL-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460981
【English Synonyms】
【Formula】
C24 H28 N4 O S
【MolWeight】
420.578
【Inchi】
InChI=1S/C24H28N4OS/c1-17-13-14-18(2)21(15-17)28-23(19-9-5-3-6-10-19)26-27-24(28)30-16-22(29)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,25,29)
【InChIKey】
InChIKey=MZVUGGPGKZEWJI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)NC3CCCCC3)c4ccccc4)C
【MOL File】
N-CYCLOHEXYL-2-[[4-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-CYCLOHEXYL-2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml