587005-46-7
2-[[4-AMINO-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Name
2-[[4-AMINO-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Formula
C23 H18 Cl N5 O3 S
MolWeight
479.946
1Identification
【Name】
2-[[4-AMINO-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
【CAS】
【MDL】
MFCD04033665
【English Synonyms】
【Formula】
C23 H18 Cl N5 O3 S
【MolWeight】
479.946
【Inchi】
InChI=1S/C23H18ClN5O3S/c1-31-20-10-16-15-7-2-3-8-18(15)32-19(16)11-17(20)26-21(30)12-33-23-28-27-22(29(23)25)13-5-4-6-14(24)9-13/h2-11H,12,25H2,1H3,(H,26,30)
【InChIKey】
InChIKey=NZQWCZVQUZMBJK-UHFFFAOYSA-N
【SMILES】
COc1cc2c3ccccc3oc2cc1NC(=O)CSc4nnc(n4N)c5cccc(c5)Cl
【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
2-[[4-AMINO-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE.cml
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