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85811-56-9 | 5H-Thiazolo[3,2-a]pyrimidin-5-one,7-(chloromethyl)-3-phenyl-
CAS No: 85811-56-9 Catalog No: AG004RK6 MDL No:MFCD02059663
Product Description
Catalog Number:
AG004RK6
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one,7-(chloromethyl)-3-phenyl-
CAS Number:
85811-56-9
Molecular Formula:
C13H9ClN2OS
Molecular Weight:
276.7414
MDL Number:
MFCD02059663
IUPAC Name:
7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C13H9ClN2OS/c14-7-10-6-12(17)16-11(8-18-13(16)15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
HWABSWUKDMJGDF-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)n2c(n1)scc2c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.738g/mol
Monoisotopic Mass:
276.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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