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Home > Pyridines > 242472-11-3
242472-11-3 | 1-benzyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS No: 242472-11-3 Catalog No: AG00IOMY MDL No:MFCD00140623
Product Description
Catalog Number:
AG00IOMY
Chemical Name:
1-benzyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS Number:
242472-11-3
Molecular Formula:
C15H14N4OS
Molecular Weight:
298.3629
MDL Number:
MFCD00140623
IUPAC Name:
1-benzyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C15H14N4OS/c1-18-14(16-17-15(18)21)12-7-8-13(20)19(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,21)
InChI Key:
VTQJFVBPUDKMHL-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.364g/mol
Monoisotopic Mass:
298.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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