573975-42-5
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023379
【English Synonyms】
【Formula】
C18 H20 N4 O4 S
【MolWeight】
388.446
【Inchi】
InChI=1S/C18H20N4O4S/c1-4-22-17(14-6-5-9-26-14)20-21-18(22)27-11-16(23)19-12-7-8-13(24-2)15(10-12)25-3/h5-10H,4,11H2,1-3H3,(H,19,23)
【InChIKey】
InChIKey=STNVVRKBWOZDTH-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)OC)OC)c3ccco3
【MOL File】
N-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,4-DIMETHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml