名称: tert-butyl 4-(5-((4-(2-(1-(methoxycarbonyl)cyclopropyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)pyridin-2-yl)piperidine-1-carboxylate
SMILES:
COC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncc2C(F)(F)F)CC1Molecular Processing
Molecular formula
C33H38F3N5O4
Molecular weight
625.69
Exact mass
625.2876
XLogP
6.74
TPSA
106.54
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
45
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
0.485
Molar refractivity
161.11
Supplementary Information
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