Nom: tert-butyl 5-(2-(3-(2-methoxy-2-oxoacetamido)phenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
COC(=O)C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1Molecular Processing
Molecular formula
C29H26N6O5
Molecular weight
538.56
Exact mass
538.1965
XLogP
5.28
TPSA
137.33
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
40
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
150.27
Supplementary Information
Récupération des détails…
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