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tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

CAS: 1272758-04-9

Formula: C18H26N2O4

SMILES: CCOC(=O)CCC1=NC2=C(CCCN2C(=O)OC(C)(C)C)C=C1

IUPAC: tert-butyl 7-(3-ethoxy-3-oxopropyl)-1,2,3,4-tetrahydro-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

Composition: C (64.65%), H (7.84%), N (8.38%), O (19.14%)

Molar Mass: 334.416

Atom Count: 50

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 334.189257325
Formal Charge 0
FSP3 0.61
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QYCNCUORIDQDBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.54
Topological Polar Surface Area 68.73
Polarizability 35.31
Ring Count 2
Rotatable Bond Count 7

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