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Home > Pyridines > 1334147-57-7
1334147-57-7 | 1-benzyl-3-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334147-57-7 Catalog No: AG01AJUL MDL No:MFCD19686409
Product Description
Catalog Number:
AG01AJUL
Chemical Name:
1-benzyl-3-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334147-57-7
Molecular Formula:
C15H12ClN3O4S
Molecular Weight:
365.7915
MDL Number:
MFCD19686409
IUPAC Name:
1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C15H12ClN3O4S/c1-18-14(20)12-7-11(24(16,22)23)8-17-13(12)19(15(18)21)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
CXJKKYPYJBYEPQ-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(Cc2ccccc2)c2c(c1=O)cc(cn2)S(=O)(=O)Cl
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.024g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.788g/mol
Monoisotopic Mass:
365.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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