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161987-77-5 | 1,8-Naphthyridine-3-carboxylic acid, 2-amino-1,4-dihydro-4-phenyl-, ethyl ester
CAS No: 161987-77-5 Catalog No: AG001SLI MDL No:
Product Description
Catalog Number:
AG001SLI
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 2-amino-1,4-dihydro-4-phenyl-, ethyl ester
CAS Number:
161987-77-5
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
IUPAC Name:
ethyl 2-amino-4-phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C17H17N3O2/c1-2-22-17(21)14-13(11-7-4-3-5-8-11)12-9-6-10-19-16(12)20-15(14)18/h3-10,13H,2,18H2,1H3,(H,19,20)
InChI Key:
OOZOHDDTXVRBLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(N)Nc2c(C1c1ccccc1)cccn2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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