이름: tert-butyl 4-(5-((4-(2-(1-carbamoylcyclopropyl)phenethyl)-5-methylpyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
SMILES:
Cc1cnc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc1CCc1ccccc1C1(C(N)=O)CC1Molecular Processing
Molecular formula
C32H40N6O3
Molecular weight
556.71
Exact mass
556.3162
XLogP
5.34
TPSA
123.33
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.469
Molar refractivity
158.03
Supplementary Information
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