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Home > Pyridines > 1334147-61-3
1334147-61-3 | 1-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334147-61-3 Catalog No: AG01AJUV MDL No:MFCD19686419
Product Description
Catalog Number:
AG01AJUV
Chemical Name:
1-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334147-61-3
Molecular Formula:
C15H12ClN3O4S
Molecular Weight:
365.7915
MDL Number:
MFCD19686419
IUPAC Name:
1-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C15H12ClN3O4S/c1-9-2-4-10(5-3-9)8-19-13-12(14(20)18-15(19)21)6-11(7-17-13)24(16,22)23/h2-7H,8H2,1H3,(H,18,20,21)
InChI Key:
FKAGCAUSKLWAPF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1c(=O)[nH]c(=O)c2c1ncc(c2)S(=O)(=O)Cl
Properties
Complexity:
613
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:
1
Isotope Atom Count:
0
Molecular Weight:
365.788g/mol
Monoisotopic Mass:
365.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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