578719-36-5
ACETAMIDE, 2-[[4-AMINO-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
Name
ACETAMIDE, 2-[[4-AMINO-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
Formula
C24 H21 N5 O3 S
MolWeight
459.528
1Identification
【Name】
ACETAMIDE, 2-[[4-AMINO-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
【CAS】
【MDL】
MFCD04029537
【English Synonyms】
【Formula】
C24 H21 N5 O3 S
【MolWeight】
459.528
【Inchi】
InChI=1S/C24H21N5O3S/c1-14-6-5-7-15(10-14)23-27-28-24(29(23)25)33-13-22(30)26-18-12-20-17(11-21(18)31-2)16-8-3-4-9-19(16)32-20/h3-12H,13,25H2,1-2H3,(H,26,30)
【InChIKey】
InChIKey=KRVKJGHRDVZZQI-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)c2nnc(n2N)SCC(=O)Nc3cc4c(cc3OC)c5ccccc5o4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETAMIDE, 2-[[4-AMINO-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-.cml
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