573974-08-0
ACETAMIDE, N-(2-METHOXY-3-DIBENZOFURANYL)-2-[[4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-
NameACETAMIDE, N-(2-METHOXY-3-DIBENZOFURANYL)-2-[[4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-
1Identification
【Name】
ACETAMIDE, N-(2-METHOXY-3-DIBENZOFURANYL)-2-[[4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-
【CAS】
【MDL】
MFCD04023287
【English Synonyms】
【Formula】
C23 H19 N5 O3 S
【MolWeight】
445.501
【Inchi】
InChI=1S/C23H19N5O3S/c1-28-22(14-6-5-9-24-12-14)26-27-23(28)32-13-21(29)25-17-11-19-16(10-20(17)30-2)15-7-3-4-8-18(15)31-19/h3-12H,13H2,1-2H3,(H,25,29)
【InChIKey】
InChIKey=NNQGMTNCXZDQOS-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCC(=O)Nc2cc3c(cc2OC)c4ccccc4o3)c5cccnc5
【MOL File】
ACETAMIDE, N-(2-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETAMIDE, N-(2-METHOXY-3-DIBENZOFURANYL)-2-[[4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-.cml