Name: tert-butyl 5-(2-(3-(2-isopropoxy-2-oxoethoxy)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
CC(C)OC(=O)COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1Molecular Processing
Molecular formula
C31H31N5O5
Molecular weight
553.62
Exact mass
553.2325
XLogP
6.5
TPSA
117.46
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41
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
0.258
Molar refractivity
156.34
Supplementary Information
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Involved in 8 reactions→