Nombre: tert-butyl 3-((7-chloropyrido[4,3-b]pyrazin-5-ylamino)methyl)-4,4-difluoropiperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(F)(F)C(CNc2nc(Cl)cc3nccnc23)C1Molecular Processing
Molecular formula
C18H22ClF2N5O2
Molecular weight
413.86
Exact mass
413.143
XLogP
3.98
TPSA
80.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
101.69
Supplementary Information
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