586995-44-0
2-[[4-AMINO-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Name
2-[[4-AMINO-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Formula
C22 H18 N6 O3 S
MolWeight
446.489
1Identification
【Name】
2-[[4-AMINO-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
【CAS】
【MDL】
MFCD04033922
【English Synonyms】
【Formula】
C22 H18 N6 O3 S
【MolWeight】
446.489
【Inchi】
InChI=1S/C22H18N6O3S/c1-30-19-9-15-14-6-2-3-7-17(14)31-18(15)10-16(19)25-20(29)12-32-22-27-26-21(28(22)23)13-5-4-8-24-11-13/h2-11H,12,23H2,1H3,(H,25,29)
【InChIKey】
InChIKey=FKHQWAIFHNSCQY-UHFFFAOYSA-N
【SMILES】
COc1cc2c3ccccc3oc2cc1NC(=O)CSc4nnc(n4N)c5cccnc5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-AMINO-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE.cml
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Catalog No:586995-44-0 up to kgs
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