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89374-59-4 | Pyrido[2,3-d]pyrimidin-4(1H)-one,2,3-dihydro-1-(4-methoxyphenyl)-2-thioxo-
CAS No: 89374-59-4 Catalog No: AG003X7D MDL No:MFCD00067810
Product Description
Catalog Number:
AG003X7D
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one,2,3-dihydro-1-(4-methoxyphenyl)-2-thioxo-
CAS Number:
89374-59-4
Molecular Formula:
C14H11N3O2S
Molecular Weight:
285.3210
MDL Number:
MFCD00067810
IUPAC Name:
1-(4-methoxyphenyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C14H11N3O2S/c1-19-10-6-4-9(5-7-10)17-12-11(3-2-8-15-12)13(18)16-14(17)20/h2-8H,1H3,(H,16,18,20)
InChI Key:
HCAFQEQAMMNBLP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=S)[nH]c(=O)c2c1nccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.321g/mol
Monoisotopic Mass:
285.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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