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114406-57-4 | 4(3H)-Quinazolinone, 2-methyl-3-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS No: 114406-57-4 Catalog No: AG000B96 MDL No:
Product Description
Catalog Number:
AG000B96
Chemical Name:
4(3H)-Quinazolinone, 2-methyl-3-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS Number:
114406-57-4
Molecular Formula:
C18H15N3O2S
Molecular Weight:
337.3956
IUPAC Name:
3-(2-methyl-4-oxoquinazolin-3-yl)-2-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H15N3O2S/c1-12-19-15-10-6-5-9-14(15)17(23)20(12)21-16(22)11-24-18(21)13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChI Key:
DICWJHZIKAQFCK-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)n1N1C(=O)CSC1c1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.397g/mol
Monoisotopic Mass:
337.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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