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Home > Pyridines > 893727-39-4
893727-39-4 | 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CAS No: 893727-39-4 Catalog No: AG01A0R7 MDL No:MFCD07364341
Product Description
Catalog Number:
AG01A0R7
Chemical Name:
2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CAS Number:
893727-39-4
Molecular Formula:
C17H18N6O2S
Molecular Weight:
370.4288
MDL Number:
MFCD07364341
IUPAC Name:
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
InChI:
InChI=1S/C17H18N6O2S/c1-2-25-14-7-5-13(6-8-14)23-16(12-4-3-9-19-10-12)21-22-17(23)26-11-15(24)20-18/h3-10H,2,11,18H2,1H3,(H,20,24)
InChI Key:
LAZUWDZODFDLNE-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1c(SCC(=O)NN)nnc1c1cccnc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.431g/mol
Monoisotopic Mass:
370.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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