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102037-99-0 | Benzeneacetic acid, 4-[4-oxo-2-(propylthio)-3(4H)-quinazolinyl]-, methyl ester
CAS No: 102037-99-0 Catalog No: AG0006FE MDL No:
Product Description
Catalog Number:
AG0006FE
Chemical Name:
Benzeneacetic acid, 4-[4-oxo-2-(propylthio)-3(4H)-quinazolinyl]-, methyl ester
CAS Number:
102037-99-0
Molecular Formula:
C20H20N2O3S
Molecular Weight:
368.4494
IUPAC Name:
methyl 2-[4-(4-oxo-2-propylsulfanylquinazolin-3-yl)phenyl]acetate
InChI:
InChI=1S/C20H20N2O3S/c1-3-12-26-20-21-17-7-5-4-6-16(17)19(24)22(20)15-10-8-14(9-11-15)13-18(23)25-2/h4-11H,3,12-13H2,1-2H3
InChI Key:
TVMQLSVJRXRGCO-UHFFFAOYSA-N
SMILES:
CCCSc1nc2ccccc2c(=O)n1c1ccc(cc1)CC(=O)OC
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.119g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.451g/mol
Monoisotopic Mass:
368.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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