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Home > Pyridines > 793716-11-7
793716-11-7 | 3-(4-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS No: 793716-11-7 Catalog No: AG019JWU MDL No:MFCD06364475
Product Description
Catalog Number:
AG019JWU
Chemical Name:
3-(4-methylpyridin-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
793716-11-7
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
MDL Number:
MFCD06364475
IUPAC Name:
3-(4-methylpyridin-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H11N3OS/c1-9-6-7-15-12(8-9)17-13(18)10-4-2-3-5-11(10)16-14(17)19/h2-8H,1H3,(H,16,19)
InChI Key:
ALWSKTUDQZENGI-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)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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