573945-49-0
N-[1,1'-BIPHENYL]-2-YL-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[1,1'-BIPHENYL]-2-YL-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[1,1'-BIPHENYL]-2-YL-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04020922
【English Synonyms】
【Formula】
C23 H21 N5 O S
【MolWeight】
415.519
【Inchi】
InChI=1S/C23H21N5OS/c1-2-28-22(18-11-8-14-24-15-18)26-27-23(28)30-16-21(29)25-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-15H,2,16H2,1H3,(H,25,29)
【InChIKey】
InChIKey=QDWOAQLWUFAOEM-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccccc2c3ccccc3)c4cccnc4
【MOL File】
N-[1,1'-BIPHENYL]-2-….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
N-[1,1'-BIPHENYL]-2-YL-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml