名称: tert-butyl 5-(2-(3-(2-tert-butoxy-2-oxoethoxy)phenyl)-quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
CC(C)(C)OC(=O)COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1Molecular Processing
Molecular formula
C32H33N5O5
Molecular weight
567.65
Exact mass
567.2482
XLogP
6.89
TPSA
117.46
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
160.96
Supplementary Information
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