538336-66-2
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
Name2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
1Identification
【Name】
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD03461022
【English Synonyms】
【Formula】
C27 H28 N4 O S
【MolWeight】
456.611
【Inchi】
InChI=1S/C27H28N4OS/c1-19(2)30(23-13-9-6-10-14-23)25(32)18-33-27-29-28-26(22-11-7-5-8-12-22)31(27)24-17-20(3)15-16-21(24)4/h5-17,19H,18H2,1-4H3
【InChIKey】
InChIKey=JRFSSEMWUYCBPL-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)n2c(nnc2SCC(=O)N(c3ccccc3)C(C)C)c4ccccc4)C
【MOL File】
2-[[4-(2,5-DIMETHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-(2,5-DIMETHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-ISOPROPYL-N-PHENYLACETAMIDE.cml