COc1cc(Cl)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1
Name: (R)-tert-butyl 3-((4-chloro-6-methoxypyrimidin-2-yl)amino)piperidine-1-carboxylate
SMILES: COc1cc(Cl)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

Molecular Processing

Molecular formula
C15H23ClN4O3
Molecular weight
342.83
Exact mass
342.1459
XLogP
2.95
TPSA
76.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
88.05

Supplementary Information

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