579444-09-0
N-[4-(BENZYLOXY)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(BENZYLOXY)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[4-(BENZYLOXY)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04032874
【English Synonyms】
【Formula】
C24 H23 N5 O2 S
【MolWeight】
445.545
【Inchi】
InChI=1S/C24H23N5O2S/c1-2-29-23(21-10-6-7-15-25-21)27-28-24(29)32-17-22(30)26-19-11-13-20(14-12-19)31-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,30)
【InChIKey】
InChIKey=DIUGZEKQJWMRHO-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCc3ccccc3)c4ccccn4
【MOL File】
N-[4-(BENZYLOXY)PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(BENZYLOXY)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml