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1272758-04-9 | 1,8-Naphthyridine-2-propanoic acid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro-, ethyl ester
CAS No: 1272758-04-9 Catalog No: AG000WVN MDL No:MFCD18711397
Product Description
Catalog Number:
AG000WVN
Chemical Name:
1,8-Naphthyridine-2-propanoic acid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro-, ethyl ester
CAS Number:
1272758-04-9
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD18711397
IUPAC Name:
tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
InChI:
InChI=1S/C18H26N2O4/c1-5-23-15(21)11-10-14-9-8-13-7-6-12-20(16(13)19-14)17(22)24-18(2,3)4/h8-9H,5-7,10-12H2,1-4H3
InChI Key:
QYCNCUORIDQDBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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