名称: tert-butyl 3-(4-((4-(2-(1-carbamoylcyclopropyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)azetidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cc2)C1Molecular Processing
Molecular formula
C31H34F3N5O3
Molecular weight
581.64
Exact mass
581.2614
XLogP
5.88
TPSA
110.44
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
151.26
Supplementary Information
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