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160662-12-4 | 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester
CAS No: 160662-12-4 Catalog No: AG001S47 MDL No:
Product Description
Catalog Number:
AG001S47
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-, ethyl ester
CAS Number:
160662-12-4
Molecular Formula:
C22H20N4O3
Molecular Weight:
388.4192
IUPAC Name:
ethyl 2-[1-methyl-5-(4-oxo-2-phenylquinazolin-3-yl)pyrazol-4-yl]acetate
InChI:
InChI=1S/C22H20N4O3/c1-3-29-19(27)13-16-14-23-25(2)21(16)26-20(15-9-5-4-6-10-15)24-18-12-8-7-11-17(18)22(26)28/h4-12,14H,3,13H2,1-2H3
InChI Key:
MDLQINIZXWWQRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cnn(c1n1c(nc2c(c1=O)cccc2)c1ccccc1)C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.154g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.427g/mol
Monoisotopic Mass:
388.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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