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Home > Pyridines > 282523-21-1
282523-21-1 | 1-benzyl-3-[4-methyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS No: 282523-21-1 Catalog No: AG00IMS8 MDL No:MFCD00141400
Product Description
Catalog Number:
AG00IMS8
Chemical Name:
1-benzyl-3-[4-methyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS Number:
282523-21-1
Molecular Formula:
C18H16N4OS
Molecular Weight:
336.4108
MDL Number:
MFCD00141400
IUPAC Name:
1-benzyl-3-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C18H16N4OS/c1-3-12-24-18-20-19-16(21(18)2)15-10-7-11-22(17(15)23)13-14-8-5-4-6-9-14/h1,4-11H,12-13H2,2H3
InChI Key:
MXUQYDGSRZBWRP-UHFFFAOYSA-N
SMILES:
C#CCSc1nnc(n1C)c1cccn(c1=O)Cc1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.413g/mol
Monoisotopic Mass:
336.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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