577981-98-7
N-(2,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04021571
【English Synonyms】
【Formula】
C19 H21 N5 O3 S
【MolWeight】
399.473
【Inchi】
InChI=1S/C19H21N5O3S/c1-4-24-18(15-7-5-6-10-20-15)22-23-19(24)28-12-17(25)21-14-9-8-13(26-2)11-16(14)27-3/h5-11H,4,12H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=FPKSGQDEAOXTSF-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2OC)OC)c3ccccn3
【MOL File】
N-(2,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml