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89374-54-9 | Pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclohexyl-2,3-dihydro-2-thioxo-
CAS No: 89374-54-9 Catalog No: AG003WND MDL No:
Product Description
Catalog Number:
AG003WND
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclohexyl-2,3-dihydro-2-thioxo-
CAS Number:
89374-54-9
Molecular Formula:
C13H15N3OS
Molecular Weight:
261.3427
IUPAC Name:
1-cyclohexyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H15N3OS/c17-12-10-7-4-8-14-11(10)16(13(18)15-12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,17,18)
InChI Key:
MKFVWIPLMZSLCY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)n(c2c1cccn2)C1CCCCC1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.343g/mol
Monoisotopic Mass:
261.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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