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89374-56-1 | Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-phenyl-2-thioxo-
CAS No: 89374-56-1 Catalog No: AG003X7F MDL No:
Product Description
Catalog Number:
AG003X7F
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-phenyl-2-thioxo-
CAS Number:
89374-56-1
Molecular Formula:
C13H9N3OS
Molecular Weight:
255.2951
IUPAC Name:
1-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H9N3OS/c17-12-10-7-4-8-14-11(10)16(13(18)15-12)9-5-2-1-3-6-9/h1-8H,(H,15,17,18)
InChI Key:
UBXURMDERBTXGV-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(=O)c2c(n1c1ccccc1)nccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.295g/mol
Monoisotopic Mass:
255.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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