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Home > Pyridines > 855715-38-7
855715-38-7 | 3-(5-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS No: 855715-38-7 Catalog No: AG019JY7 MDL No:MFCD06655119
Product Description
Catalog Number:
AG019JY7
Chemical Name:
3-(5-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
855715-38-7
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD06655119
IUPAC Name:
3-(5-methylpyridin-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H11N3OS/c1-9-6-7-12(15-8-9)17-13(18)10-4-2-3-5-11(10)16-14(17)19/h2-8H,1H3,(H,16,19)
InChI Key:
CKQWJHOXJDMCGC-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)n1c(S)nc2c(c1=O)cccc2
Properties
Complexity:
387
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:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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