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1416440-33-9 | 1,8-Naphthyridine-2-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro-α-methyl-, methyl ester
CAS No: 1416440-33-9 Catalog No: AG001GT6 MDL No:
Product Description
Catalog Number:
AG001GT6
Chemical Name:
1,8-Naphthyridine-2-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro-α-methyl-, methyl ester
CAS Number:
1416440-33-9
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
IUPAC Name:
tert-butyl 7-(1-methoxy-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
InChI:
InChI=1S/C17H24N2O4/c1-11(15(20)22-5)13-9-8-12-7-6-10-19(14(12)18-13)16(21)23-17(2,3)4/h8-9,11H,6-7,10H2,1-5H3
InChI Key:
GYKKXPQMHGBOFP-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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