Name: 5-(6-(2-chloroethoxy)-2-(3-fluoro-4-(phenyl)phenyl)-7-methoxyquinazolin-4-ylamino)-1H-indazole-1-carboxylate
SMILES:
COc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Nc3ccc4c(cnn4C(=O)[O-])c3)c2cc1OCCClMolecular Processing
Molecular formula
C31H22ClFN5O4-
Molecular weight
583
Exact mass
582.135
XLogP
6.01
TPSA
114.22
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.097
Molar refractivity
156.94
Supplementary Information
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Involved in 9 reactions→