Название: tert-butyl 5-(2-(3-((R)-1-(2,2,2-trifluoroacetyl)-pyrrolidine-2-carboxamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)[C@H]5CCCN5C(=O)C(F)(F)F)c4)nc4ccccc34)ccc21Molecular Processing
Molecular formula
C33H30F3N7O4
Molecular weight
645.64
Exact mass
645.2311
XLogP
6.67
TPSA
131.34
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
169.04
Supplementary Information
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