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379241-59-5 | 5-(4-Chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CAS No: 379241-59-5 Catalog No: AG01FMRT MDL No:MFCD03028484
Product Description
Catalog Number:
AG01FMRT
Chemical Name:
5-(4-Chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CAS Number:
379241-59-5
Molecular Formula:
C13H9ClN2OS
Molecular Weight:
276.7414
MDL Number:
MFCD03028484
IUPAC Name:
5-(4-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H9ClN2OS/c1-7-10(8-2-4-9(14)5-3-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17)
InChI Key:
QJIQBTGANJMDPQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(C)sc2c1c(=O)[nH]cn2
Properties
Complexity:
368
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:
1
Isotope Atom Count:
0
Molecular Weight:
276.738g/mol
Monoisotopic Mass:
276.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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