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Home > Pyridines > 242472-19-1
242472-19-1 | 1-benzyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS No: 242472-19-1 Catalog No: AG00IMRU MDL No:MFCD00140473
Product Description
Catalog Number:
AG00IMRU
Chemical Name:
1-benzyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS Number:
242472-19-1
Molecular Formula:
C15H14N4OS
Molecular Weight:
298.3629
MDL Number:
MFCD00140473
IUPAC Name:
1-benzyl-3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C15H14N4OS/c1-18-13(16-17-15(18)21)12-8-5-9-19(14(12)20)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,21)
InChI Key:
SDKWPMJQRYIHMZ-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1cccn(c1=O)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:
1.8
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