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175457-26-8

175457-26-8 | 1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-1-[3-(4-morpholinyl)phenyl]-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-, hydrochloride (1:3)

CAS No: 175457-26-8 Catalog No: AG0020ZO MDL No:

Product Description

Catalog Number:
AG0020ZO
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-1-[3-(4-morpholinyl)phenyl]-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-, hydrochloride (1:3)
CAS Number:
175457-26-8
Molecular Formula:
C28H30Cl3FN6O4
Molecular Weight:
639.9330
IUPAC Name:
6-fluoro-1-(3-morpholin-4-ylphenyl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C28H27FN6O4/c29-23-17-21-25(36)22(28(37)38)18-35(20-5-3-4-19(16-20)32-12-14-39-15-13-32)26(21)31-27(23)34-10-8-33(9-11-34)24-6-1-2-7-30-24/h1-7,16-18H,8-15H2,(H,37,38)
InChI Key:
JYXSKJYDHOMZBJ-UHFFFAOYSA-N
SMILES:
Fc1cc2c(nc1N1CCN(CC1)c1ccccn1)n(cc(c2=O)C(=O)O)c1cccc(c1)N1CCOCC1.Cl.Cl.Cl

Properties

Complexity:
924  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.208g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
530.56g/mol
Monoisotopic Mass:
530.208g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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