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83269-14-1

83269-14-1 | Carbamic acid, [5-amino-3-[(methylphenylamino)carbonyl]pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester (9CI)

CAS No: 83269-14-1 Catalog No: AG004TUX MDL No:

Product Description

Catalog Number:
AG004TUX
Chemical Name:
Carbamic acid, [5-amino-3-[(methylphenylamino)carbonyl]pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester (9CI)
CAS Number:
83269-14-1
Molecular Formula:
C18H18N6O3
Molecular Weight:
366.3739
IUPAC Name:
ethyl N-[5-amino-3-[methyl(phenyl)carbamoyl]pyrido[3,4-b]pyrazin-7-yl]carbamate
InChI:
InChI=1S/C18H18N6O3/c1-3-27-18(26)23-14-9-12-15(16(19)22-14)21-13(10-20-12)17(25)24(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H3,19,22,23,26)
InChI Key:
LSRDZPKTSCKGIL-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nc(N)c2c(c1)ncc(n2)C(=O)N(c1ccccc1)C
NSC Number:
302065

Properties

Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.144g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
366.381g/mol
Monoisotopic Mass:
366.144g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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