587010-85-3
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC19 H21 N5 O3 S
1Identification
【Name】
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04033790
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H21 N5 O3 S
【pro_molWeight】
399.473
【Inchi】
InChI=1S/C19H21N5O3S/c1-4-24-18(13-6-5-9-20-11-13)22-23-19(24)28-12-17(25)21-14-7-8-15(26-2)16(10-14)27-3/h5-11H,4,12H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=VVADHGUEAJACDE-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)OC)OC)c3cccnc3
【MOL File】
N-(3,4-DIMETHOXYPHEN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml