이름: 4-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCC4(CC3)OCCO4)cc2)c2ccccc21Molecular Processing
Molecular formula
C26H33N3O4
Molecular weight
451.57
Exact mass
451.2471
XLogP
4.92
TPSA
54.48
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
129.55
Supplementary Information
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