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Home > Pyridines > 422274-53-1
422274-53-1 | 3-(pyridin-3-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS No: 422274-53-1 Catalog No: AG019JY6 MDL No:MFCD00104425
Product Description
Catalog Number:
AG019JY6
Chemical Name:
3-(pyridin-3-ylmethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
422274-53-1
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD00104425
IUPAC Name:
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H11N3OS/c18-13-11-5-1-2-6-12(11)16-14(19)17(13)9-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,19)
InChI Key:
PZLVJPPOFNKHFH-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(=O)n1Cc1cccnc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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