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Home > Pyridines > 1334146-91-6
1334146-91-6 | 1-benzyl-3-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334146-91-6 Catalog No: AG01AJUN MDL No:MFCD19686411
Product Description
Catalog Number:
AG01AJUN
Chemical Name:
1-benzyl-3-ethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334146-91-6
Molecular Formula:
C16H14ClN3O4S
Molecular Weight:
379.8181
MDL Number:
MFCD19686411
IUPAC Name:
1-benzyl-3-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C16H14ClN3O4S/c1-2-19-15(21)13-8-12(25(17,23)24)9-18-14(13)20(16(19)22)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChI Key:
MTERCIGNPMHAHN-UHFFFAOYSA-N
SMILES:
CCn1c(=O)n(Cc2ccccc2)c2c(c1=O)cc(cn2)S(=O)(=O)Cl
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.815g/mol
Monoisotopic Mass:
379.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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