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Home > Pyridines > 121828-81-7
121828-81-7 | Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-3,5,7-triphenyl-2-thioxo-
CAS No: 121828-81-7 Catalog No: AG001630 MDL No:
Product Description
Catalog Number:
AG001630
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-3,5,7-triphenyl-2-thioxo-
CAS Number:
121828-81-7
Molecular Formula:
C25H17N3OS
Molecular Weight:
407.4870
IUPAC Name:
3,5,7-triphenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C25H17N3OS/c29-24-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)26-23(22)27-25(30)28(24)19-14-8-3-9-15-19/h1-16H,(H,26,27,30)
InChI Key:
OTGJFOVZSWWEGY-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2nc(cc(c2c(=O)n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.109g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.491g/mol
Monoisotopic Mass:
407.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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