Name: tert-Butyl [(1S,2R)-2-({6-carbamoyl-5-[(4,6-dimethylpyridin-2-yl)amino]pyridin-3-yl]amino)cyclohexyl}carbamate
SMILES:
Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cnc2C(N)=O)c1Molecular Processing
Molecular formula
C24H34N6O3
Molecular weight
454.58
Exact mass
454.2692
XLogP
4.18
TPSA
131.26
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
128.79
Supplementary Information
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