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89374-60-7 | Pyrido[2,3-d]pyrimidin-4(1H)-one,1-(4-bromophenyl)-2,3-dihydro-2-thioxo-
CAS No: 89374-60-7 Catalog No: AG003WNB MDL No:MFCD00067811
Product Description
Catalog Number:
AG003WNB
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one,1-(4-bromophenyl)-2,3-dihydro-2-thioxo-
CAS Number:
89374-60-7
Molecular Formula:
C13H8BrN3OS
Molecular Weight:
334.1911
MDL Number:
MFCD00067811
IUPAC Name:
1-(4-bromophenyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H8BrN3OS/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,(H,16,18,19)
InChI Key:
NAONAOVYCQTYGN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1c(=S)[nH]c(=O)c2c1nccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.957g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.191g/mol
Monoisotopic Mass:
332.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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