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Home > Pyridines > 893727-27-0
893727-27-0 | 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CAS No: 893727-27-0 Catalog No: AG01A0R5 MDL No:MFCD07364337
Product Description
Catalog Number:
AG01A0R5
Chemical Name:
2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CAS Number:
893727-27-0
Molecular Formula:
C16H16N6OS
Molecular Weight:
340.4028
MDL Number:
MFCD07364337
IUPAC Name:
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
InChI:
InChI=1S/C16H16N6OS/c1-11-2-4-13(5-3-11)22-15(12-6-8-18-9-7-12)20-21-16(22)24-10-14(23)19-17/h2-9H,10,17H2,1H3,(H,19,23)
InChI Key:
FCXFYZDTMJIPDA-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.405g/mol
Monoisotopic Mass:
340.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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