名称: tert-butyl 4-(5-((4-(2-(1-carbamoylcyclopropyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1Molecular Processing
Molecular formula
C32H37F3N6O3
Molecular weight
610.68
Exact mass
610.2879
XLogP
6.05
TPSA
123.33
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.469
Molar refractivity
158.29
Supplementary Information
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