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1265203-38-0 | 1,7-Naphthyridine-7(6H)-acetic acid, 3-(ethoxycarbonyl)-5,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 1265203-38-0 Catalog No: AG000SV5 MDL No:MFCD22375531
Product Description
Catalog Number:
AG000SV5
Chemical Name:
1,7-Naphthyridine-7(6H)-acetic acid, 3-(ethoxycarbonyl)-5,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1265203-38-0
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD22375531
IUPAC Name:
7-O-tert-butyl 3-O-ethyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
InChI:
InChI=1S/C16H22N2O4/c1-5-21-14(19)12-8-11-6-7-18(10-13(11)17-9-12)15(20)22-16(2,3)4/h8-9H,5-7,10H2,1-4H3
InChI Key:
QMADFFRBGJZOQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)CCN(C2)CC(=O)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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