Nombre: (3R)-tert-butyl 3-(2-(3-(4-(1H-indazol-5-ylamino)quinazolin-2-yl)phenoxy)acetamido)pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)C1Molecular Processing
Molecular formula
C32H33N7O4
Molecular weight
579.66
Exact mass
579.2594
XLogP
5.42
TPSA
134.36
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
43
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
164.2
Supplementary Information
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