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tert-butyl 5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxylate

tert-butyl 5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxylate

CAS: 1048912-97-5

Formula: C20H25N3O2

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)NC1=C(C=CC=C1)N1C=CC=C21

IUPAC: tert-butyl 5'H-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxylate

InChI: InChI=1S/C20H25N3O2/c1-19(2,3)25-18(24)22-13-10-20(11-14-22)17-9-6-12-23(17)16-8-5-4-7-15(16)21-20/h4-9,12,21H,10-11,13-14H2,1-3H3

Composition: C (70.77%), H (7.42%), N (12.38%), O (9.43%)

Molar Mass: 339.439

Atom Count: 50

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 339.194677057
Formal Charge 0
FSP3 0.45
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RIZMHDANSJWNSI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.48
Topological Polar Surface Area 46.5
Polarizability 38.29
Ring Count 4
Rotatable Bond Count 2

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