Название: tert-butyl 5-(2-(3-((R)-pyrrolidine-2-carboxamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)[C@H]5CCCN5)c4)nc4ccccc34)ccc21Molecular Processing
Molecular formula
C31H31N7O3
Molecular weight
549.64
Exact mass
549.2488
XLogP
5.86
TPSA
123.06
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
159.28
Supplementary Information
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