Nombre: tert-butyl 4-[4-(4-pyridin-4-yloxypiperidin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C21)C3=CC=C(C=C3)N4CCC(CC4)OC5=CC=NC=C5Molecular Processing
Molecular formula
C29H34N4O3
Molecular weight
486.62
Exact mass
486.2631
XLogP
6.02
TPSA
58.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
143.57
Supplementary Information
InChIKey: QBPOUARWEDUNIZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL973913QBPOUARWEDUNIZ-UHFFFAOYSA-N4-{4-[4-(pyridin-4-yloxy)piperidin-1-yl]phenyl}-3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester
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