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125290-82-6 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydro-5-methyl-4-oxo-, ethyl ester
CAS No: 125290-82-6 Catalog No: AG000NGB MDL No:
Product Description
Catalog Number:
AG000NGB
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydro-5-methyl-4-oxo-, ethyl ester
CAS Number:
125290-82-6
Molecular Formula:
C15H16ClFN2O3
Molecular Weight:
326.7505
IUPAC Name:
ethyl 7-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C15H16ClFN2O3/c1-3-22-15(21)9-6-19(8-4-5-8)14-10(12(9)20)7(2)11(17)13(16)18-14/h8-9H,3-6H2,1-2H3
InChI Key:
AVSJJKRZZUJIGM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C2CC2)c2c(C1=O)c(C)c(c(n2)Cl)F
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.752g/mol
Monoisotopic Mass:
326.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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