Название: 4-[4-(2-fluoro-4-nitro-phenoxy)-6-methoxy-quinolin-7-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C27H30FN3O7
Molecular weight
527.55
Exact mass
527.2068
XLogP
6.11
TPSA
113.26
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
137.45
Supplementary Information
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