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160662-10-2

160662-10-2 | 1H-Pyrazole-4-acetic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

CAS No: 160662-10-2 Catalog No: AG001S48 MDL No:

Product Description

Catalog Number:
AG001S48
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
CAS Number:
160662-10-2
Molecular Formula:
C17H18N4O3
Molecular Weight:
326.3498
IUPAC Name:
ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
InChI:
InChI=1S/C17H18N4O3/c1-4-24-15(22)9-12-10-18-20(3)16(12)21-11(2)19-14-8-6-5-7-13(14)17(21)23/h5-8,10H,4,9H2,1-3H3
InChI Key:
XZIATLQDPNXYAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cnn(c1n1c(C)nc2c(c1=O)cccc2)C

Properties

Complexity:
536  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.138g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.356g/mol
Monoisotopic Mass:
326.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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